N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine

C15H14BrClFN — CID 43488656

IUPACN-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H14BrClFN/c1-2-19-15(10-3-5-11(16)6-4-10)13-9-12(17)7-8-14(13)18/h3-9,15,19H,2H2,1H3
InChIKeyPXDUSRLKBOSFCS-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.94
Rot. Bonds4

About N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine

N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine (PubChem CID 43488656) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
PubChem CID43488656
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H14BrClFN/c1-2-19-15(10-3-5-11(16)6-4-10)13-9-12(17)7-8-14(13)18/h3-9,15,19H,2H2,1H3
InChIKeyPXDUSRLKBOSFCS-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine (CID 43488656) is N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine?
The InChIKey is PXDUSRLKBOSFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-2-19-15(10-3-5-11(16)6-4-10)13-9-12(17)7-8-14(13)18/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine?
N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(5-chloro-2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43488656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).