2-[(4-bromoanilino)-phenylmethyl]phenol

C19H16BrNO — CID 163183613

IUPAC2-[(4-bromoanilino)-phenylmethyl]phenol
SMILESOc1ccccc1C(Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H16BrNO/c20-15-10-12-16(13-11-15)21-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-13,19,21-22H
InChIKeyWKTZDTZWNBRSKQ-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.36
Rot. Bonds4

About 2-[(4-bromoanilino)-phenylmethyl]phenol

2-[(4-bromoanilino)-phenylmethyl]phenol (PubChem CID 163183613) has the molecular formula C19H16BrNO and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-[(4-bromoanilino)-phenylmethyl]phenol.

Molecular Properties

Compound Name2-[(4-bromoanilino)-phenylmethyl]phenol
PubChem CID163183613
Molecular FormulaC19H16BrNO
Molecular Weight354.25 g/mol
Exact Mass353.04
IUPAC Name2-[(4-bromoanilino)-phenylmethyl]phenol
SMILESOc1ccccc1C(Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H16BrNO/c20-15-10-12-16(13-11-15)21-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-13,19,21-22H
InChIKeyWKTZDTZWNBRSKQ-UHFFFAOYSA-N
XLogP5.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-bromoanilino)-phenylmethyl]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-[(4-bromophenyl)-(1,2,4-triazol-4-ylamino)methyl]phenol
CID 3491293
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 141163589
4-(benzhydrylamino)benzene-1,2-diol
CID 175113517
N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline
CID 606420
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
3-(4-bromoanilino)-3-(4-bromophenyl)-1-phenylpropan-1-ol
CID 132593927
2-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]phenol
CID 135029307
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
4-bromo-N-(2-diphenylphosphoryl-1-phenylethyl)aniline
CID 141410491
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromoanilino)-phenylmethyl]phenol?
The IUPAC name of 2-[(4-bromoanilino)-phenylmethyl]phenol (CID 163183613) is 2-[(4-bromoanilino)-phenylmethyl]phenol.
What is the SMILES notation for 2-[(4-bromoanilino)-phenylmethyl]phenol?
The canonical SMILES for 2-[(4-bromoanilino)-phenylmethyl]phenol is Oc1ccccc1C(Nc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-bromoanilino)-phenylmethyl]phenol?
The InChIKey is WKTZDTZWNBRSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO/c20-15-10-12-16(13-11-15)21-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-13,19,21-22H.
What are the key properties of 2-[(4-bromoanilino)-phenylmethyl]phenol?
2-[(4-bromoanilino)-phenylmethyl]phenol has a molecular weight of 354.25 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromoanilino)-phenylmethyl]phenol is sourced from PubChem (CID 163183613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).