2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol

C14H20ClNOS — CID 103923196

IUPAC2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
SMILESCSC1CCCCC1NCc1cccc(Cl)c1O
InChIInChI=1S/C14H20ClNOS/c1-18-13-8-3-2-7-12(13)16-9-10-5-4-6-11(15)14(10)17/h4-6,12-13,16-17H,2-3,7-9H2,1H3
InChIKeyADTXZUJMVZDKSO-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.81
Rot. Bonds4

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

2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol (PubChem CID 103923196) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
PubChem CID103923196
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
SMILESCSC1CCCCC1NCc1cccc(Cl)c1O
InChIInChI=1S/C14H20ClNOS/c1-18-13-8-3-2-7-12(13)16-9-10-5-4-6-11(15)14(10)17/h4-6,12-13,16-17H,2-3,7-9H2,1H3
InChIKeyADTXZUJMVZDKSO-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol 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

N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103761966
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
CID 113352464
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776706
4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 113240107
methyl 2-[[(2-methylsulfanylcyclohexyl)amino]methyl]benzoate
CID 103923201
4-chloro-2-methoxy-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 104646371
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 113262761
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol (CID 103923196) is 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol is CSC1CCCCC1NCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol?
The InChIKey is ADTXZUJMVZDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-18-13-8-3-2-7-12(13)16-9-10-5-4-6-11(15)14(10)17/h4-6,12-13,16-17H,2-3,7-9H2,1H3.
What are the key properties of 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol?
2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol has a molecular weight of 285.84 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 103923196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).