N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine

C17H18BrF2N — CID 106645345

IUPACN-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1cccc(Br)c1F
InChIInChI=1S/C17H18BrF2N/c1-2-10-21-16(11-12-6-8-13(19)9-7-12)14-4-3-5-15(18)17(14)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyVDADSZXXMCFVJK-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.01
Rot. Bonds6

About N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine

N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 106645345) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID106645345
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC NameN-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1cccc(Br)c1F
InChIInChI=1S/C17H18BrF2N/c1-2-10-21-16(11-12-6-8-13(19)9-7-12)14-4-3-5-15(18)17(14)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyVDADSZXXMCFVJK-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-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)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-[1-(2-bromo-6-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114559918
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 107953643
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406037
N-[1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 107953636
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
1-(3-bromo-2-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107952811
N-[1-(2,3-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115864405
N-[1-(3-bromo-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 107953506
N-[1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 106762282
N-[1-(2,5-dibromothiophen-3-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 43497902

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (CID 106645345) is N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)c1cccc(Br)c1F.
What is the InChIKey of N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is VDADSZXXMCFVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-2-10-21-16(11-12-6-8-13(19)9-7-12)14-4-3-5-15(18)17(14)20/h3-9,16,21H,2,10-11H2,1H3.
What are the key properties of N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)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-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106645345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).