2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol

C15H22ClNO — CID 112606932

IUPAC2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
SMILESCC1CCC(NCc2cccc(Cl)c2O)CC1C
InChIInChI=1S/C15H22ClNO/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(16)15(12)18/h3-5,10-11,13,17-18H,6-9H2,1-2H3
InChIKeyODWCAXDQJAIFRS-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol

2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol (PubChem CID 112606932) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
PubChem CID112606932
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
SMILESCC1CCC(NCc2cccc(Cl)c2O)CC1C
InChIInChI=1S/C15H22ClNO/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(16)15(12)18/h3-5,10-11,13,17-18H,6-9H2,1-2H3
InChIKeyODWCAXDQJAIFRS-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
2-[[(3,4-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103253362
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 64739906
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965690
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107412029
2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 115907050
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol (CID 112606932) is 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol is CC1CCC(NCc2cccc(Cl)c2O)CC1C.
What is the InChIKey of 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol?
The InChIKey is ODWCAXDQJAIFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-6-7-13(8-11(10)2)17-9-12-4-3-5-14(16)15(12)18/h3-5,10-11,13,17-18H,6-9H2,1-2H3.
What are the key properties of 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol?
2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol has a molecular weight of 267.80 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 112606932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).