[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol

C16H24ClNO — CID 79134995

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
SMILESCC1(C)CCC(CN)(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNO/c1-15(2)7-9-16(11-18,10-8-15)14(19)12-3-5-13(17)6-4-12/h3-6,14,19H,7-11,18H2,1-2H3
InChIKeyINPJHOXASVULJC-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.92
Rot. Bonds3

About [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol (PubChem CID 79134995) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
PubChem CID79134995
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
SMILESCC1(C)CCC(CN)(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNO/c1-15(2)7-9-16(11-18,10-8-15)14(19)12-3-5-13(17)6-4-12/h3-6,14,19H,7-11,18H2,1-2H3
InChIKeyINPJHOXASVULJC-UHFFFAOYSA-N
XLogP3.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
CID 79138278
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-chloro-4-methoxyphenyl)methanol
CID 79123439
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-bromo-3-fluorophenyl)methanol
CID 81440704
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3,5-dimethylphenyl)methanol
CID 79137995
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-thiophen-3-ylmethanol
CID 79135088
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
CID 79123405
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
CID 79126025
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(5-bromofuran-2-yl)methanol
CID 79135610
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
CID 79138573
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol (CID 79134995) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol is CC1(C)CCC(CN)(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol?
The InChIKey is INPJHOXASVULJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2)7-9-16(11-18,10-8-15)14(19)12-3-5-13(17)6-4-12/h3-6,14,19H,7-11,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol has a molecular weight of 281.83 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 79134995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).