N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine

C17H19BrFN — CID 114828576

IUPACN-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NC(C)c1ccccc1Br
InChIInChI=1S/C17H19BrFN/c1-12(10-14-6-5-7-15(19)11-14)20-13(2)16-8-3-4-9-17(16)18/h3-9,11-13,20H,10H2,1-2H3
InChIKeyKTTDNQQLJUVJKR-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine

N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine (PubChem CID 114828576) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
PubChem CID114828576
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NC(C)c1ccccc1Br
InChIInChI=1S/C17H19BrFN/c1-12(10-14-6-5-7-15(19)11-14)20-13(2)16-8-3-4-9-17(16)18/h3-9,11-13,20H,10H2,1-2H3
InChIKeyKTTDNQQLJUVJKR-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-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

1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine
CID 43677717
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 107598358
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine (CID 114828576) is N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine is CC(Cc1cccc(F)c1)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is KTTDNQQLJUVJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-12(10-14-6-5-7-15(19)11-14)20-13(2)16-8-3-4-9-17(16)18/h3-9,11-13,20H,10H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 336.25 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114828576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).