4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol

C14H22ClNO2 — CID 66179486

IUPAC4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
SMILESCC(C)CC(C)(O)CNCc1cc(Cl)ccc1O
InChIInChI=1S/C14H22ClNO2/c1-10(2)7-14(3,18)9-16-8-11-6-12(15)4-5-13(11)17/h4-6,10,16-18H,7-9H2,1-3H3
InChIKeyLTVSTRQVALNZMR-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.93
Rot. Bonds6

About 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol

4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol (PubChem CID 66179486) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
PubChem CID66179486
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
SMILESCC(C)CC(C)(O)CNCc1cc(Cl)ccc1O
InChIInChI=1S/C14H22ClNO2/c1-10(2)7-14(3,18)9-16-8-11-6-12(15)4-5-13(11)17/h4-6,10,16-18H,7-9H2,1-3H3
InChIKeyLTVSTRQVALNZMR-UHFFFAOYSA-N
XLogP2.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)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

4-chloro-2-[(2,2-dimethylbutylamino)methyl]phenol
CID 103460689
4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
CID 43499358
4-fluoro-3-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]benzoic acid
CID 107453057
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
tert-butyl N-[1-[(5-chloro-2-hydroxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740291
2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
4-chloro-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 62636256
4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
CID 103743359
3-[(5-chloro-2-methoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170017
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
1-[(2-bromo-5-chlorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838920

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol (CID 66179486) is 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol is CC(C)CC(C)(O)CNCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol?
The InChIKey is LTVSTRQVALNZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10(2)7-14(3,18)9-16-8-11-6-12(15)4-5-13(11)17/h4-6,10,16-18H,7-9H2,1-3H3.
What are the key properties of 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol?
4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol has a molecular weight of 271.79 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol is sourced from PubChem (CID 66179486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).