N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine

C15H14Br2FN — CID 43488718

IUPACN-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C15H14Br2FN/c1-2-19-15(10-3-5-11(16)6-4-10)13-8-7-12(18)9-14(13)17/h3-9,15,19H,2H2,1H3
InChIKeyMIWPYSNJVLTGND-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.05
Rot. Bonds4

About N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine

N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine (PubChem CID 43488718) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
PubChem CID43488718
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC NameN-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C15H14Br2FN/c1-2-19-15(10-3-5-11(16)6-4-10)13-8-7-12(18)9-14(13)17/h3-9,15,19H,2H2,1H3
InChIKeyMIWPYSNJVLTGND-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.09
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]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

N-[(2-bromo-4-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107560861
N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487803
N-[(4-bromophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302716
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(4-bromo-3-chloro-2-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 106762270
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107945585
N-[(2-bromo-4-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79726735
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine (CID 43488718) is N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine?
The InChIKey is MIWPYSNJVLTGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-2-19-15(10-3-5-11(16)6-4-10)13-8-7-12(18)9-14(13)17/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine?
N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine has a molecular weight of 387.09 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine is sourced from PubChem (CID 43488718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).