3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine

C166H231Br4Cl7N16O6+4 — CID 159105708

IUPAC3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Br)c[n+](O)cc1Br.CC(C)c1c(Br)cncc1Br.CC(C)c1c(Cl)c[n+](O)cc1Cl.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(Cl)cncc1Cl.CC(C)c1c(N)cccc1Cl.Cc1c[n+](O)cc(C)c1C(C)C.Cc1cc(O)cc(C)c1C(C)C.Cc1cc[n+](O)c(C)c1C(C)C.Cc1cccc(C)c1C(C)C.Cc1cccc(N)c1C(C)C.Cc1cccc(O)c1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1nc(-c2ccccc2)nc(C)c1C(C)C.Cc1nc(C)c(C(C)C)c(C)n1.Cc1ncnc(C)c1C(C)C
InChIInChI=1S/C15H18N2.C11H16O.C11H16.C10H16N2.2C10H16NO.3C10H15N.C10H14O.C9H10Cl2.C9H12ClN.C9H14N2.C8H10Br2NO.C8H9Br2N.C8H10Cl2NO.C8H9Cl2N/c1-10(2)14-11(3)16-15(17-12(14)4)13-8-6-5-7-9-13;1-7(2)11-8(3)5-10(12)6-9(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-7(3)11-9(5)12-8(10)4;1-7(2)10-8(3)5-11(12)6-9(10)4;1-7(2)10-8(3)5-6-11(12)9(10)4;1-7(2)10-8(3)5-11-6-9(10)4;1-7(2)10-8(3)5-6-11-9(10)4;2*1-7(2)10-8(3)5-4-6-9(10)11;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)10-5-11-8(9)4;1-5(2)8-6(9)3-11(12)4-7(8)10;1-5(2)8-6(9)3-11-4-7(8)10;1-5(2)8-6(9)3-11(12)4-7(8)10;1-5(2)8-6(9)3-11-4-7(8)10/h5-10H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;6H,1-5H3;2*5-7,12H,1-4H3;2*5-7H,1-4H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;3-6H,1-2H3;3-6H,11H2,1-2H3;5-6H,1-4H3;3-5,12H,1-2H3;3-5H,1-2H3;3-5,12H,1-2H3;3-5H,1-2H3/q;;;;2*+1;;;;;;;;+1;;+1;
InChIKeyXUXSMGIHWKTHNT-UHFFFAOYSA-N
MW3114.57 g/mol
LogP50.16
Rot. Bonds18

About 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine

3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine (PubChem CID 159105708) has the molecular formula C166H231Br4Cl7N16O6+4 and a molecular weight of 3114.57 g/mol. Its IUPAC name is 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine
PubChem CID159105708
Molecular FormulaC166H231Br4Cl7N16O6+4
Molecular Weight3114.57 g/mol
Exact Mass3105.28
IUPAC Name3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Br)c[n+](O)cc1Br.CC(C)c1c(Br)cncc1Br.CC(C)c1c(Cl)c[n+](O)cc1Cl.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(Cl)cncc1Cl.CC(C)c1c(N)cccc1Cl.Cc1c[n+](O)cc(C)c1C(C)C.Cc1cc(O)cc(C)c1C(C)C.Cc1cc[n+](O)c(C)c1C(C)C.Cc1cccc(C)c1C(C)C.Cc1cccc(N)c1C(C)C.Cc1cccc(O)c1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1nc(-c2ccccc2)nc(C)c1C(C)C.Cc1nc(C)c(C(C)C)c(C)n1.Cc1ncnc(C)c1C(C)C
InChIInChI=1S/C15H18N2.C11H16O.C11H16.C10H16N2.2C10H16NO.3C10H15N.C10H14O.C9H10Cl2.C9H12ClN.C9H14N2.C8H10Br2NO.C8H9Br2N.C8H10Cl2NO.C8H9Cl2N/c1-10(2)14-11(3)16-15(17-12(14)4)13-8-6-5-7-9-13;1-7(2)11-8(3)5-10(12)6-9(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-7(3)11-9(5)12-8(10)4;1-7(2)10-8(3)5-11(12)6-9(10)4;1-7(2)10-8(3)5-6-11(12)9(10)4;1-7(2)10-8(3)5-11-6-9(10)4;1-7(2)10-8(3)5-6-11-9(10)4;2*1-7(2)10-8(3)5-4-6-9(10)11;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)10-5-11-8(9)4;1-5(2)8-6(9)3-11(12)4-7(8)10;1-5(2)8-6(9)3-11-4-7(8)10;1-5(2)8-6(9)3-11(12)4-7(8)10;1-5(2)8-6(9)3-11-4-7(8)10/h5-10H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;6H,1-5H3;2*5-7,12H,1-4H3;2*5-7H,1-4H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;3-6H,1-2H3;3-6H,11H2,1-2H3;5-6H,1-4H3;3-5,12H,1-2H3;3-5H,1-2H3;3-5,12H,1-2H3;3-5H,1-2H3/q;;;;2*+1;;;;;;;;+1;;+1;
InChIKeyXUXSMGIHWKTHNT-UHFFFAOYSA-N
XLogP50.16
TPSA317.84 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003114.57
LogP ≤ 550.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-(3-Bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol
CID 161418706

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine?
The IUPAC name of 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine (CID 159105708) is 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine is CC(C)c1c(Br)c[n+](O)cc1Br.CC(C)c1c(Br)cncc1Br.CC(C)c1c(Cl)c[n+](O)cc1Cl.CC(C)c1c(Cl)cccc1Cl.CC(C)c1c(Cl)cncc1Cl.CC(C)c1c(N)cccc1Cl.Cc1c[n+](O)cc(C)c1C(C)C.Cc1cc(O)cc(C)c1C(C)C.Cc1cc[n+](O)c(C)c1C(C)C.Cc1cccc(C)c1C(C)C.Cc1cccc(N)c1C(C)C.Cc1cccc(O)c1C(C)C.Cc1ccnc(C)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1nc(-c2ccccc2)nc(C)c1C(C)C.Cc1nc(C)c(C(C)C)c(C)n1.Cc1ncnc(C)c1C(C)C.
What is the InChIKey of 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine?
The InChIKey is XUXSMGIHWKTHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C11H16O.C11H16.C10H16N2.2C10H16NO.3C10H15N.C10H14O.C9H10Cl2.C9H12ClN.C9H14N2.C8H10Br2NO.C8H9Br2N.C8H10Cl2NO.C8H9Cl2N/c1-10(2)14-11(3)16-15(17-12(14)4)13-8-6-5-7-9-13;1-7(2)11-8(3)5-10(12)6-9(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)10-7(3)11-9(5)12-8(10)4;1-7(2)10-8(3)5-11(12)6-9(10)4;1-7(2)10-8(3)5-6-11(12)9(10)4;1-7(2)10-8(3)5-11-6-9(10)4;1-7(2)10-8(3)5-6-11-9(10)4;2*1-7(2)10-8(3)5-4-6-9(10)11;2*1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)10-5-11-8(9)4;1-5(2)8-6(9)3-11(12)4-7(8)10;1-5(2)8-6(9)3-11-4-7(8)10;1-5(2)8-6(9)3-11(12)4-7(8)10;1-5(2)8-6(9)3-11-4-7(8)10/h5-10H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;6H,1-5H3;2*5-7,12H,1-4H3;2*5-7H,1-4H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;3-6H,1-2H3;3-6H,11H2,1-2H3;5-6H,1-4H3;3-5,12H,1-2H3;3-5H,1-2H3;3-5,12H,1-2H3;3-5H,1-2H3/q;;;;2*+1;;;;;;;;+1;;+1;.
What are the key properties of 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine?
3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine has a molecular weight of 3114.57 g/mol, XLogP of 50.16, 18 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propan-2-ylaniline;3,5-dibromo-1-hydroxy-4-propan-2-ylpyridin-1-ium;3,5-dibromo-4-propan-2-ylpyridine;3,5-dichloro-1-hydroxy-4-propan-2-ylpyridin-1-ium;1,3-dichloro-2-propan-2-ylbenzene;3,5-dichloro-4-propan-2-ylpyridine;4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine;1,3-dimethyl-2-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylphenol;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1-hydroxy-2,4-dimethyl-3-propan-2-ylpyridin-1-ium;1-hydroxy-3,5-dimethyl-4-propan-2-ylpyridin-1-ium;3-methyl-2-propan-2-ylaniline;3-methyl-2-propan-2-ylphenol;2,4,6-trimethyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 159105708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).