[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol

C17H26ClNO — CID 79138512

IUPAC[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
SMILESCC(C)C1CCC(CN)(C(O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClNO/c1-12(2)13-6-8-17(11-19,9-7-13)16(20)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,20H,6-9,11,19H2,1-2H3
InChIKeyMBAMPBLHPLECFJ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.16
Rot. Bonds4

About [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol

[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol (PubChem CID 79138512) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
PubChem CID79138512
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
SMILESCC(C)C1CCC(CN)(C(O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClNO/c1-12(2)13-6-8-17(11-19,9-7-13)16(20)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,20H,6-9,11,19H2,1-2H3
InChIKeyMBAMPBLHPLECFJ-UHFFFAOYSA-N
XLogP4.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-bromo-4-chlorophenyl)methanol
CID 83233725
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-bromo-4-methylphenyl)methanol
CID 105404014
[1-(aminomethyl)-3-ethylcyclopentyl]-(3,5-dichlorophenyl)methanol
CID 79138188
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
CID 79138573
[1-(aminomethyl)-4-ethylcyclohexyl]-(3-chloro-5-fluorophenyl)methanol
CID 114455039
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
CID 79134995
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
CID 79123405
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79977381
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol
CID 79137746
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol (CID 79138512) is [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol is CC(C)C1CCC(CN)(C(O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol?
The InChIKey is MBAMPBLHPLECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-12(2)13-6-8-17(11-19,9-7-13)16(20)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,20H,6-9,11,19H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol?
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol has a molecular weight of 295.85 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol is sourced from PubChem (CID 79138512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).