3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone

C126H234ClFN22O4 — CID 159987401

IUPAC3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)(C)C)C1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(C)(C)C1CCNC1.CC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCCC(N)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1cc(O)cc(F)c1Cl.CN(C)C1CCCN(C(C)(C)C)C1.CN(C)C1CCN(C(C)(C)C)C1.CNc1ncc(C)c(C(C)(C)C)n1.Cc1ccc(N)nc1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C
InChIInChI=1S/C11H14N2.C11H24N2.C11H21NO.C10H12ClFO.C10H17N3.C10H22N2.C10H16N2.C10H19NO.C9H15N3.C9H20N2.C9H19NO.C8H18N2.C8H17N/c1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)13-8-6-7-10(9-13)12(4)5;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-10(2,3)7-4-6(13)5-8(12)9(7)11;1-7-6-12-9(11-5)13-8(7)10(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5;1-7-5-6-8(11)12-9(7)10(2,3)4;1-8(12)11-6-5-9(7-11)10(2,3)4;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-4-5-9-6-7/h4-7H,1-3H3,(H,12,13);10H,6-9H2,1-5H3;10H,5-8H2,1-4H3;4-5,13H,1-3H3;6H,1-5H3,(H,11,12,13);9H,6-8H2,1-5H3;5-6H,1-4H3,(H2,11,12);9H,5-7H2,1-4H3;5H,1-4H3,(H2,10,11,12);8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;7,9H,4-6H2,1-3H3
InChIKeyOGMXQDUCVCZFKD-UHFFFAOYSA-N
MW2175.86 g/mol
LogP24.73
Rot. Bonds3

About 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone

3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone (PubChem CID 159987401) has the molecular formula C126H234ClFN22O4 and a molecular weight of 2175.86 g/mol. Its IUPAC name is 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone
PubChem CID159987401
Molecular FormulaC126H234ClFN22O4
Molecular Weight2175.86 g/mol
Exact Mass2173.85
IUPAC Name3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C(C)(C)C)C1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(C)(C)C1CCNC1.CC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCCC(N)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1cc(O)cc(F)c1Cl.CN(C)C1CCCN(C(C)(C)C)C1.CN(C)C1CCN(C(C)(C)C)C1.CNc1ncc(C)c(C(C)(C)C)n1.Cc1ccc(N)nc1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C
InChIInChI=1S/C11H14N2.C11H24N2.C11H21NO.C10H12ClFO.C10H17N3.C10H22N2.C10H16N2.C10H19NO.C9H15N3.C9H20N2.C9H19NO.C8H18N2.C8H17N/c1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)13-8-6-7-10(9-13)12(4)5;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-10(2,3)7-4-6(13)5-8(12)9(7)11;1-7-6-12-9(11-5)13-8(7)10(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5;1-7-5-6-8(11)12-9(7)10(2,3)4;1-8(12)11-6-5-9(7-11)10(2,3)4;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-4-5-9-6-7/h4-7H,1-3H3,(H,12,13);10H,6-9H2,1-5H3;10H,5-8H2,1-4H3;4-5,13H,1-3H3;6H,1-5H3,(H,11,12,13);9H,6-8H2,1-5H3;5-6H,1-4H3,(H2,11,12);9H,5-7H2,1-4H3;5H,1-4H3,(H2,10,11,12);8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;7,9H,4-6H2,1-3H3
InChIKeyOGMXQDUCVCZFKD-UHFFFAOYSA-N
XLogP24.73
TPSA325.03 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds3
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002175.86
LogP ≤ 524.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(1-tert-butylpyrrolidin-3-yl)ethanone
CID 157109875
3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone;4-tert-butylquinazolin-2-amine
CID 157348144
4-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol;4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;3-[4-amino-1-[[2-(pyrrolidin-1-ylmethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 158368289
6-chloro-7-(3,4-difluorophenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-hydroxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]acetamide;6-chloro-1-pentan-3-yl-7-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 158620738
3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-ol;4-tert-butyl-1H-pyrazole;4-tert-butylquinazolin-2-amine;8-tert-butylquinazolin-6-ol;4-tert-butyl-3H-quinazolin-2-one
CID 158746591
3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylimidazol-2-amine;3-tert-butyl-2H-indazole;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butylquinazolin-2-amine
CID 159324539
3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylimidazolidine;3-tert-butyl-2H-indazole;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone;4-tert-butylquinazolin-2-amine
CID 160026521
3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(1-tert-butylpyrrolidin-3-yl)ethanone;4-tert-butylquinazolin-2-amine
CID 160808640
3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;4-tert-butyl-1H-pyrazole;4-tert-butylquinazolin-2-amine
CID 161040572
3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butylquinazolin-2-amine
CID 161592115
3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(1-tert-butylpiperidin-3-yl)ethanone;3-tert-butylpyrrolidin-1-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 161910718
3-tert-butyl-4-chloro-5-fluorophenol;4-tert-butyl-5-chloropyrimidin-2-amine;4-tert-butyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole 2,2-dioxide;1-tert-butyl-N,N-dimethylpiperidin-3-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone;4-tert-butylquinazolin-2-amine
CID 163882925

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone?
The IUPAC name of 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone (CID 159987401) is 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone is CC(=O)N1CCC(C(C)(C)C)C1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(C)(C)C1CCNC1.CC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCCC(N)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1cc(O)cc(F)c1Cl.CN(C)C1CCCN(C(C)(C)C)C1.CN(C)C1CCN(C(C)(C)C)C1.CNc1ncc(C)c(C(C)(C)C)n1.Cc1ccc(N)nc1C(C)(C)C.Cc1cnc(N)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone?
The InChIKey is OGMXQDUCVCZFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C11H24N2.C11H21NO.C10H12ClFO.C10H17N3.C10H22N2.C10H16N2.C10H19NO.C9H15N3.C9H20N2.C9H19NO.C8H18N2.C8H17N/c1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)13-8-6-7-10(9-13)12(4)5;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-10(2,3)7-4-6(13)5-8(12)9(7)11;1-7-6-12-9(11-5)13-8(7)10(2,3)4;1-10(2,3)12-7-6-9(8-12)11(4)5;1-7-5-6-8(11)12-9(7)10(2,3)4;1-8(12)11-6-5-9(7-11)10(2,3)4;1-6-5-11-8(10)12-7(6)9(2,3)4;1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-6-4-5-8(11)7-10;1-8(2,3)10-5-4-7(9)6-10;1-8(2,3)7-4-5-9-6-7/h4-7H,1-3H3,(H,12,13);10H,6-9H2,1-5H3;10H,5-8H2,1-4H3;4-5,13H,1-3H3;6H,1-5H3,(H,11,12,13);9H,6-8H2,1-5H3;5-6H,1-4H3,(H2,11,12);9H,5-7H2,1-4H3;5H,1-4H3,(H2,10,11,12);8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;7H,4-6,9H2,1-3H3;7,9H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone?
3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone has a molecular weight of 2175.86 g/mol, XLogP of 24.73, 3 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-chloro-5-fluorophenol;1-tert-butyl-N,N-dimethylpiperidin-3-amine;4-tert-butyl-N,5-dimethylpyrimidin-2-amine;1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;3-tert-butyl-2H-indazole;6-tert-butyl-5-methylpyridin-2-amine;4-tert-butyl-5-methylpyrimidin-2-amine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-3-ol;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butylpyrrolidin-3-amine;3-tert-butylpyrrolidine;1-(3-tert-butylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 159987401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).