1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine

C16H16BrF2N — CID 63476814

IUPAC1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cc(F)cc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrF2N/c1-11(13-2-4-14(17)5-3-13)20-7-6-12-8-15(18)10-16(19)9-12/h2-5,8-11,20H,6-7H2,1H3
InChIKeyLQBADMXLBYOIDC-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.62
Rot. Bonds5

About 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine

1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine (PubChem CID 63476814) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
PubChem CID63476814
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cc(F)cc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrF2N/c1-11(13-2-4-14(17)5-3-13)20-7-6-12-8-15(18)10-16(19)9-12/h2-5,8-11,20H,6-7H2,1H3
InChIKeyLQBADMXLBYOIDC-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]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

1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565956
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43191748
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981
4-[2-[1-(4-bromophenyl)ethylamino]ethyl]phenol
CID 61238708
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565881
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79710852
N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62604800

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine (CID 63476814) is 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine is CC(NCCc1cc(F)cc(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine?
The InChIKey is LQBADMXLBYOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-11(13-2-4-14(17)5-3-13)20-7-6-12-8-15(18)10-16(19)9-12/h2-5,8-11,20H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine?
1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 63476814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).