[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol

C15H22ClNO — CID 114845376

IUPAC[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
SMILESCC1CCCC(N(C)c2ccc(Cl)cc2CO)C1
InChIInChI=1S/C15H22ClNO/c1-11-4-3-5-14(8-11)17(2)15-7-6-13(16)9-12(15)10-18/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3
InChIKeyFBQJVAJNYPTOMS-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.85
Rot. Bonds3

About [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol

[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol (PubChem CID 114845376) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
PubChem CID114845376
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
SMILESCC1CCCC(N(C)c2ccc(Cl)cc2CO)C1
InChIInChI=1S/C15H22ClNO/c1-11-4-3-5-14(8-11)17(2)15-7-6-13(16)9-12(15)10-18/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3
InChIKeyFBQJVAJNYPTOMS-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 114846499
4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
CID 114849226
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
[2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 61446202
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
5-chloro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarbothioamide
CID 63520647
2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 63539775
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
[4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol
CID 61446253

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol (CID 114845376) is [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol is CC1CCCC(N(C)c2ccc(Cl)cc2CO)C1.
What is the InChIKey of [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol?
The InChIKey is FBQJVAJNYPTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-4-3-5-14(8-11)17(2)15-7-6-13(16)9-12(15)10-18/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3.
What are the key properties of [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol?
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol is sourced from PubChem (CID 114845376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).