2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine

C15H14BrClFN — CID 55188147

IUPAC2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14BrClFN/c1-19-15(8-10-3-2-4-11(16)7-10)13-6-5-12(17)9-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyBLGGRBNEOOAVIW-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

About 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine

2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 55188147) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID55188147
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14BrClFN/c1-19-15(8-10-3-2-4-11(16)7-10)13-6-5-12(17)9-14(13)18/h2-7,9,15,19H,8H2,1H3
InChIKeyBLGGRBNEOOAVIW-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 107539107
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
2-(3-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)-N-methylethanamine
CID 81045128
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(4-bromo-2-fluorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63527821
1-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63417950
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
CID 63504239
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine (CID 55188147) is 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is BLGGRBNEOOAVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-15(8-10-3-2-4-11(16)7-10)13-6-5-12(17)9-14(13)18/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine?
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 55188147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).