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

C15H14BrClFN — CID 43489025

IUPACN-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrClFN/c1-2-19-15(10-3-5-11(17)6-4-10)13-8-7-12(18)9-14(13)16/h3-9,15,19H,2H2,1H3
InChIKeyNCRLGWOPKOZLLI-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.94
Rot. Bonds4

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

N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine (PubChem CID 43489025) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine
PubChem CID43489025
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrClFN/c1-2-19-15(10-3-5-11(17)6-4-10)13-8-7-12(18)9-14(13)16/h3-9,15,19H,2H2,1H3
InChIKeyNCRLGWOPKOZLLI-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

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Related Compounds

1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
(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

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine (CID 43489025) is N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine?
The InChIKey is NCRLGWOPKOZLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-2-19-15(10-3-5-11(17)6-4-10)13-8-7-12(18)9-14(13)16/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine?
N-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)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-[(2-bromo-4-fluorophenyl)-(4-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43489025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).