N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

C15H14BrClFN — CID 54902089

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(NCc1cc(F)ccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFN/c1-10(11-2-4-13(17)5-3-11)19-9-12-8-14(18)6-7-15(12)16/h2-8,10,19H,9H2,1H3
InChIKeyAVCFMRPGZSBAIG-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.09
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 54902089) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
PubChem CID54902089
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(NCc1cc(F)ccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFN/c1-10(11-2-4-13(17)5-3-11)19-9-12-8-14(18)6-7-15(12)16/h2-8,10,19H,9H2,1H3
InChIKeyAVCFMRPGZSBAIG-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022361
(1S)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022363
[(2-Bromo-4-chlorophenyl)methyl](methyl)amine hydrochloride
CID 165946160
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43178076
(4-Chlorobenzyl)-(1-phenylethyl)amine
CID 2757412
(1S)-N-benzyl-1-(4-chlorophenyl)ethanamine
CID 28435486
N-benzyl-1-(4-chlorophenyl)ethanamine
CID 43177505
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
N-[(4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718090
1-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43085128
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 43178810
N-[1-(4-chlorophenyl)-2-fluoroethyl]propan-2-amine
CID 83821574

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine (CID 54902089) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine is CC(NCc1cc(F)ccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is AVCFMRPGZSBAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-10(11-2-4-13(17)5-3-11)19-9-12-8-14(18)6-7-15(12)16/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 342.64 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 54902089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).