2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol

C14H20ClNO — CID 112554031

IUPAC2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCCC(NCc2cccc(Cl)c2O)C1
InChIInChI=1S/C14H20ClNO/c1-10-4-2-6-12(8-10)16-9-11-5-3-7-13(15)14(11)17/h3,5,7,10,12,16-17H,2,4,6,8-9H2,1H3
InChIKeyJJLPEJOLDCZKPK-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol

2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol (PubChem CID 112554031) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
PubChem CID112554031
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCCC(NCc2cccc(Cl)c2O)C1
InChIInChI=1S/C14H20ClNO/c1-10-4-2-6-12(8-10)16-9-11-5-3-7-13(15)14(11)17/h3,5,7,10,12,16-17H,2,4,6,8-9H2,1H3
InChIKeyJJLPEJOLDCZKPK-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.71
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-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
2-chloro-6-[[(3,4-dimethylcyclohexyl)amino]methyl]phenol
CID 112606932
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107412029
2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 43317735
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol (CID 112554031) is 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol is CC1CCCC(NCc2cccc(Cl)c2O)C1.
What is the InChIKey of 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol?
The InChIKey is JJLPEJOLDCZKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-4-2-6-12(8-10)16-9-11-5-3-7-13(15)14(11)17/h3,5,7,10,12,16-17H,2,4,6,8-9H2,1H3.
What are the key properties of 2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol?
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol has a molecular weight of 253.77 g/mol, XLogP of 3.71, 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-methylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 112554031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).