1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane

C148H248Cl2F3N3O3 — CID 158654654

IUPAC1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane
SMILESCC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CN(C(c2ccccc2)c2ccccc2)C1.CC(C)(C)C1CN(Cc2cc(Cl)cc(OC(F)(F)F)c2)C1.CC(C)(C)CC12CC3CC(CC(C3)C1)C2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)C1CCC(C(C)(C)C)CC1.CC(C)COc1ncc(C(C)(C)C)cc1Cl.CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H25N.C15H19ClF3NO.C15H26.C14H24.C14H20.C14H28.C13H20ClNO.C13H26.C11H22.C10H20.C9H18O/c1-20(2,3)18-14-21(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-14(2,3)11-8-20(9-11)7-10-4-12(16)6-13(5-10)21-15(17,18)19;1-14(2,3)10-15-7-11-4-12(8-15)6-13(5-11)9-15;1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-9(2)8-16-12-11(14)6-10(7-15-12)13(3,4)5;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8/h4-13,18-19H,14-15H2,1-3H3;4-6,11H,7-9H2,1-3H3;11-13H,4-10H2,1-3H3;10-12H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;11-12H,7-10H2,1-6H3;6-7,9H,8H2,1-5H3;10-12H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyIBZGCYAVCWWTHL-UHFFFAOYSA-N
MW2245.53 g/mol
LogP45.60
Rot. Bonds11

About 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane

1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane (PubChem CID 158654654) has the molecular formula C148H248Cl2F3N3O3 and a molecular weight of 2245.53 g/mol. Its IUPAC name is 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane.

Molecular Properties

Compound Name1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane
PubChem CID158654654
Molecular FormulaC148H248Cl2F3N3O3
Molecular Weight2245.53 g/mol
Exact Mass2242.87
IUPAC Name1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane
SMILESCC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CN(C(c2ccccc2)c2ccccc2)C1.CC(C)(C)C1CN(Cc2cc(Cl)cc(OC(F)(F)F)c2)C1.CC(C)(C)CC12CC3CC(CC(C3)C1)C2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)C1CCC(C(C)(C)C)CC1.CC(C)COc1ncc(C(C)(C)C)cc1Cl.CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H25N.C15H19ClF3NO.C15H26.C14H24.C14H20.C14H28.C13H20ClNO.C13H26.C11H22.C10H20.C9H18O/c1-20(2,3)18-14-21(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-14(2,3)11-8-20(9-11)7-10-4-12(16)6-13(5-10)21-15(17,18)19;1-14(2,3)10-15-7-11-4-12(8-15)6-13(5-11)9-15;1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-9(2)8-16-12-11(14)6-10(7-15-12)13(3,4)5;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8/h4-13,18-19H,14-15H2,1-3H3;4-6,11H,7-9H2,1-3H3;11-13H,4-10H2,1-3H3;10-12H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;11-12H,7-10H2,1-6H3;6-7,9H,8H2,1-5H3;10-12H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyIBZGCYAVCWWTHL-UHFFFAOYSA-N
XLogP45.60
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002245.53
LogP ≤ 545.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane with MolForge

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Related Compounds

5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine
CID 157512866
2-chloro-4-(2,2-dimethylpropoxy)-1-fluorobenzene;3-chloro-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypyridine;4-(2,2-dimethylpropoxy)-1,2-difluorobenzene;4-(2,2-dimethylpropoxy)-1,1-difluorocyclohexane;6-(2,2-dimethylpropoxy)-3,3-dimethyl-2,4-dihydro-1H-naphthalene;7-(2,2-dimethylpropoxy)-3,3-dimethyl-2,4-dihydro-1H-naphthalene;1-(2,2-dimethylpropoxy)-4-(trifluoromethyl)cyclohexane;(2-methylpropan-2-yl)oxymethylcyclohexane;6-[(2-methylpropan-2-yl)oxymethyl]spiro[2.5]octane
CID 157827694
4-tert-butyl-2-chloro-1-methoxybenzene;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]piperidine;4-tert-butyl-1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]piperidine;methane
CID 157859237
5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane
CID 159576911
4-Tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine
CID 159735593
5-Tert-butyl-3-chloro-2-ethoxypyridine;5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1,2-dimethylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 161236534
4-tert-butyl-2-chloro-1-methoxybenzene;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine
CID 161688758
5-tert-butyl-3-chloro-2-(2,2,3,3-tetrafluoropropoxy)pyridine;1-tert-butyl-3-chloro-5-(trifluoromethoxy)benzene;4-tert-butyl-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidine;5-tert-butyl-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)pyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidine;4-tert-butyl-1-[(3,5-dichlorophenyl)-phenylmethyl]piperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperidine;1-[(2,6-dichlorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162040041

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane?
The IUPAC name of 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane (CID 158654654) is 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane.
What is the SMILES notation for 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane?
The canonical SMILES for 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane is CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1CN(C(c2ccccc2)c2ccccc2)C1.CC(C)(C)C1CN(Cc2cc(Cl)cc(OC(F)(F)F)c2)C1.CC(C)(C)CC12CC3CC(CC(C3)C1)C2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)C1CCC(C(C)(C)C)CC1.CC(C)COc1ncc(C(C)(C)C)cc1Cl.CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane?
The InChIKey is IBZGCYAVCWWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N.C15H19ClF3NO.C15H26.C14H24.C14H20.C14H28.C13H20ClNO.C13H26.C11H22.C10H20.C9H18O/c1-20(2,3)18-14-21(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-14(2,3)11-8-20(9-11)7-10-4-12(16)6-13(5-10)21-15(17,18)19;1-14(2,3)10-15-7-11-4-12(8-15)6-13(5-11)9-15;1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-9(2)8-16-12-11(14)6-10(7-15-12)13(3,4)5;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8/h4-13,18-19H,14-15H2,1-3H3;4-6,11H,7-9H2,1-3H3;11-13H,4-10H2,1-3H3;10-12H,4-9H2,1-3H3;8-10H,4-7H2,1-3H3;11-12H,7-10H2,1-6H3;6-7,9H,8H2,1-5H3;10-12H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane?
1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane has a molecular weight of 2245.53 g/mol, XLogP of 45.60, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-tert-butylazetidine;1-tert-butyladamantane;5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;3-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]azetidine;tert-butylcyclohexane;1-tert-butyl-4-methylcyclohexane;4-tert-butyloxane;1-tert-butyl-4-propan-2-ylcyclohexane;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1,4-ditert-butylcyclohexane;1-(2,2-dimethylpropyl)adamantane is sourced from PubChem (CID 158654654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).