N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine

C16H17BrFN — CID 63452893

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C16H17BrFN/c1-12(13-5-3-2-4-6-13)10-19-11-14-9-15(18)7-8-16(14)17/h2-9,12,19H,10-11H2,1H3
InChIKeyZYNFHZLZXAYGQW-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.48
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine

N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine (PubChem CID 63452893) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
PubChem CID63452893
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1cc(F)ccc1Br)c1ccccc1
InChIInChI=1S/C16H17BrFN/c1-12(13-5-3-2-4-6-13)10-19-11-14-9-15(18)7-8-16(14)17/h2-9,12,19H,10-11H2,1H3
InChIKeyZYNFHZLZXAYGQW-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine 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

N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 65036447
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine
CID 106263718
1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
CID 65149860
N-[(2-bromo-5-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63452332
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
CID 102831045
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-1-amine
CID 113287438
3-(2-bromo-5-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846213
1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
CID 65149561

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine (CID 63452893) is N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine is CC(CNCc1cc(F)ccc1Br)c1ccccc1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine?
The InChIKey is ZYNFHZLZXAYGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-12(13-5-3-2-4-6-13)10-19-11-14-9-15(18)7-8-16(14)17/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine has a molecular weight of 322.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 63452893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).