2-[(2-bromophenyl)methylamino]-2-phenylethanol

C15H16BrNO — CID 6613037

IUPAC2-[(2-bromophenyl)methylamino]-2-phenylethanol
SMILESOCC(NCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C15H16BrNO/c16-14-9-5-4-8-13(14)10-17-15(11-18)12-6-2-1-3-7-12/h1-9,15,17-18H,10-11H2
InChIKeyWQWMWAWARYFRLG-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.27
Rot. Bonds5

About 2-[(2-bromophenyl)methylamino]-2-phenylethanol

2-[(2-bromophenyl)methylamino]-2-phenylethanol (PubChem CID 6613037) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylamino]-2-phenylethanol
PubChem CID6613037
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-[(2-bromophenyl)methylamino]-2-phenylethanol
SMILESOCC(NCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C15H16BrNO/c16-14-9-5-4-8-13(14)10-17-15(11-18)12-6-2-1-3-7-12/h1-9,15,17-18H,10-11H2
InChIKeyWQWMWAWARYFRLG-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-bromophenyl)methylamino]-2-phenylethanol 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

(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
3-bromo-4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoic acid
CID 122437638
(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
CID 103922964
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
CID 103766322
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol
CID 103766342
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
(2S)-2-[(5-bromo-2-nitrophenyl)methylamino]-2-phenylethanol
CID 103922975
(2R)-2-[(4-bromo-2-nitrophenyl)methylamino]-2-phenylethanol
CID 107862644
2-[(4-bromo-2-nitrophenyl)methylamino]-2-phenylethanol
CID 114381299

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylamino]-2-phenylethanol?
The IUPAC name of 2-[(2-bromophenyl)methylamino]-2-phenylethanol (CID 6613037) is 2-[(2-bromophenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for 2-[(2-bromophenyl)methylamino]-2-phenylethanol?
The canonical SMILES for 2-[(2-bromophenyl)methylamino]-2-phenylethanol is OCC(NCc1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-[(2-bromophenyl)methylamino]-2-phenylethanol?
The InChIKey is WQWMWAWARYFRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-14-9-5-4-8-13(14)10-17-15(11-18)12-6-2-1-3-7-12/h1-9,15,17-18H,10-11H2.
What are the key properties of 2-[(2-bromophenyl)methylamino]-2-phenylethanol?
2-[(2-bromophenyl)methylamino]-2-phenylethanol has a molecular weight of 306.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 6613037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).