4-[(2-chlorophenyl)methylamino]phenol

C13H12ClNO — CID 18778398

IUPAC4-[(2-chlorophenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClNO/c14-13-4-2-1-3-10(13)9-15-11-5-7-12(16)8-6-11/h1-8,15-16H,9H2
InChIKeyNUBSKQHSQVEURU-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.66
Rot. Bonds3

About 4-[(2-chlorophenyl)methylamino]phenol

4-[(2-chlorophenyl)methylamino]phenol (PubChem CID 18778398) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]phenol
PubChem CID18778398
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name4-[(2-chlorophenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClNO/c14-13-4-2-1-3-10(13)9-15-11-5-7-12(16)8-6-11/h1-8,15-16H,9H2
InChIKeyNUBSKQHSQVEURU-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
2-[[4-(2-chlorophenyl)anilino]methyl]phenol
CID 122182748
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
CID 112982542
N-[(2-chlorophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942759
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
4-butoxy-N-[(2-chlorophenyl)methyl]aniline
CID 54798799
propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
CID 43231429
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 43734126
4-(benzylamino)phenol;hydrochloride
CID 16738613

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]phenol?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]phenol (CID 18778398) is 4-[(2-chlorophenyl)methylamino]phenol.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]phenol?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]phenol is Oc1ccc(NCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]phenol?
The InChIKey is NUBSKQHSQVEURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-13-4-2-1-3-10(13)9-15-11-5-7-12(16)8-6-11/h1-8,15-16H,9H2.
What are the key properties of 4-[(2-chlorophenyl)methylamino]phenol?
4-[(2-chlorophenyl)methylamino]phenol has a molecular weight of 233.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]phenol is sourced from PubChem (CID 18778398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).