2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine

C17H19BrFN — CID 60819247

IUPAC2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H19BrFN/c1-3-20-17(10-13-5-4-6-15(18)9-13)14-8-7-12(2)16(19)11-14/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyQLGNPKLAOFYDHQ-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.79
Rot. Bonds5

About 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine

2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 60819247) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID60819247
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H19BrFN/c1-3-20-17(10-13-5-4-6-15(18)9-13)14-8-7-12(2)16(19)11-14/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyQLGNPKLAOFYDHQ-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine 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-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine (CID 60819247) is 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine is CCNC(Cc1cccc(Br)c1)c1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is QLGNPKLAOFYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-20-17(10-13-5-4-6-15(18)9-13)14-8-7-12(2)16(19)11-14/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine?
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 60819247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).