N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine

C17H18BrF2N — CID 63412021

IUPACN-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1F)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrF2N/c1-2-10-21-16(12-6-8-14(18)9-7-12)11-13-4-3-5-15(19)17(13)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyLVKQIYJHMNQOFH-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.01
Rot. Bonds6

About N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine

N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine (PubChem CID 63412021) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
PubChem CID63412021
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC NameN-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1F)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrF2N/c1-2-10-21-16(12-6-8-14(18)9-7-12)11-13-4-3-5-15(19)17(13)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyLVKQIYJHMNQOFH-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-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-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
N-[1-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 102827764
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106464774
N-[1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]propan-1-amine
CID 102618475
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine (CID 63412021) is N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1F)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is LVKQIYJHMNQOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-2-10-21-16(12-6-8-14(18)9-7-12)11-13-4-3-5-15(19)17(13)20/h3-9,16,21H,2,10-11H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine?
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 354.24 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63412021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).