[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol

C16H24ClNO2 — CID 62552157

IUPAC[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCOc1ccc(Cl)cc1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C16H24ClNO2/c1-12-5-7-16(11-19,8-6-12)18-10-13-9-14(17)3-4-15(13)20-2/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3
InChIKeyUISATHBTQVNRIT-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.38
Rot. Bonds5

About [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol

[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 62552157) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID62552157
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCOc1ccc(Cl)cc1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C16H24ClNO2/c1-12-5-7-16(11-19,8-6-12)18-10-13-9-14(17)3-4-15(13)20-2/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3
InChIKeyUISATHBTQVNRIT-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[(5-chloro-2-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79556482
[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62551822
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116603995
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
CID 86815624
1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65030140
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol (CID 62552157) is [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol is COc1ccc(Cl)cc1CNC1(CO)CCC(C)CC1.
What is the InChIKey of [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is UISATHBTQVNRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12-5-7-16(11-19,8-6-12)18-10-13-9-14(17)3-4-15(13)20-2/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3.
What are the key properties of [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol has a molecular weight of 297.83 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62552157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).