2-chloro-4-[(2-methoxyphenyl)methylamino]phenol

C14H14ClNO2 — CID 107678386

IUPAC2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
SMILESCOc1ccccc1CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-18-14-5-3-2-4-10(14)9-16-11-6-7-13(17)12(15)8-11/h2-8,16-17H,9H2,1H3
InChIKeyMUUGQTPCCHYNAY-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.67
Rot. Bonds4

About 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol

2-chloro-4-[(2-methoxyphenyl)methylamino]phenol (PubChem CID 107678386) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
PubChem CID107678386
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
SMILESCOc1ccccc1CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-18-14-5-3-2-4-10(14)9-16-11-6-7-13(17)12(15)8-11/h2-8,16-17H,9H2,1H3
InChIKeyMUUGQTPCCHYNAY-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-chloro-4-[(2-methoxyphenyl)methylamino]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

2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
CID 107678736
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitroaniline
CID 43425474
2-[2-[(3-chloro-4-methoxyanilino)methyl]phenoxy]acetonitrile
CID 43758083
2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
CID 107678317
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
2-[(3-chloro-4-methoxyanilino)methyl]benzonitrile
CID 28570636
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
CID 174622940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol?
The IUPAC name of 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol (CID 107678386) is 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol.
What is the SMILES notation for 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol?
The canonical SMILES for 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol is COc1ccccc1CNc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol?
The InChIKey is MUUGQTPCCHYNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-18-14-5-3-2-4-10(14)9-16-11-6-7-13(17)12(15)8-11/h2-8,16-17H,9H2,1H3.
What are the key properties of 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol?
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol has a molecular weight of 263.72 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-methoxyphenyl)methylamino]phenol is sourced from PubChem (CID 107678386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).