2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol

C16H17BrClNO — CID 103793106

IUPAC2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCc1cc(Br)ccc1Cl
InChIInChI=1S/C16H17BrClNO/c17-14-6-7-16(18)13(9-14)10-19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2
InChIKeyYSGWJQWAEBXSNI-UHFFFAOYSA-N
MW354.68 g/mol
LogP3.80
Rot. Bonds6

About 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol

2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 103793106) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID103793106
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCc1cc(Br)ccc1Cl
InChIInChI=1S/C16H17BrClNO/c17-14-6-7-16(18)13(9-14)10-19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2
InChIKeyYSGWJQWAEBXSNI-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol 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

(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610113
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
2-chloro-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]phenol
CID 115907196
(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 107860780
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
3-[(5-bromo-2-chlorophenyl)methylamino]-2-methylbutan-1-ol
CID 115732589
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
N-[(5-bromo-2-methoxyphenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 65025817
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 65323842
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol (CID 103793106) is 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol is OCC(Cc1ccccc1)NCc1cc(Br)ccc1Cl.
What is the InChIKey of 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is YSGWJQWAEBXSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c17-14-6-7-16(18)13(9-14)10-19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2.
What are the key properties of 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol?
2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 354.68 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 103793106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).