2-[(2-chloroanilino)methyl]phenol

C13H12ClNO — CID 2393508

IUPAC2-[(2-chloroanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccccc1Cl
InChIInChI=1S/C13H12ClNO/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16/h1-8,15-16H,9H2
InChIKeyJICVFOZMJQFGKJ-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.66
Rot. Bonds3

About 2-[(2-chloroanilino)methyl]phenol

2-[(2-chloroanilino)methyl]phenol (PubChem CID 2393508) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-[(2-chloroanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(2-chloroanilino)methyl]phenol
PubChem CID2393508
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-[(2-chloroanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccccc1Cl
InChIInChI=1S/C13H12ClNO/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16/h1-8,15-16H,9H2
InChIKeyJICVFOZMJQFGKJ-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': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
Phenol, 4-[(phenylmethyl)amino]-, hydrochloride (1:1)
CID 16738613
2-(Anilinomethyl)phenol
CID 220804
Alpha-(4-chloroanilino)-ortho-cresol
CID 581438
2-(((4-Fluorophenyl)Amino)Methyl)Phenol
CID 855073
2-(3-Chloro-4-fluoroanilino)-2-(5-chloro-2-hydroxyphenyl)acetonitrile
CID 90423425
Alpha-(3-chloro-para-toluidino)-ortho-cresol
CID 5122966
N-Benzyl-4-hydroxyanilinium chloride
CID 69316
4-Chloro-2-{1-[(4-methylphenyl)amino]ethyl}phenol
CID 2948191
2-[(2-Methylanilino)methyl]phenol;hydrochloride
CID 6602835

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroanilino)methyl]phenol?
The IUPAC name of 2-[(2-chloroanilino)methyl]phenol (CID 2393508) is 2-[(2-chloroanilino)methyl]phenol.
What is the SMILES notation for 2-[(2-chloroanilino)methyl]phenol?
The canonical SMILES for 2-[(2-chloroanilino)methyl]phenol is Oc1ccccc1CNc1ccccc1Cl.
What is the InChIKey of 2-[(2-chloroanilino)methyl]phenol?
The InChIKey is JICVFOZMJQFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16/h1-8,15-16H,9H2.
What are the key properties of 2-[(2-chloroanilino)methyl]phenol?
2-[(2-chloroanilino)methyl]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 2-[(2-chloroanilino)methyl]phenol is sourced from PubChem (CID 2393508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).