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

C15H14BrClFN — CID 103039915

IUPAC1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrClFN/c1-19-15(11-4-2-3-5-12(11)16)9-10-6-7-14(18)13(17)8-10/h2-8,15,19H,9H2,1H3
InChIKeyHNLFJGJBCLVBQY-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

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

1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine (PubChem CID 103039915) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
PubChem CID103039915
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrClFN/c1-19-15(11-4-2-3-5-12(11)16)9-10-6-7-14(18)13(17)8-10/h2-8,15,19H,9H2,1H3
InChIKeyHNLFJGJBCLVBQY-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-(3-bromo-2-methylphenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043118
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
1-(2-bromophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63529102
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
CID 103040452
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
1-(4-bromo-2-fluorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63527821
2-(3-bromo-4-fluorophenyl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533807
1-(2-chloro-4,5-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 107476269

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine (CID 103039915) is 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(Cl)c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The InChIKey is HNLFJGJBCLVBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-15(11-4-2-3-5-12(11)16)9-10-6-7-14(18)13(17)8-10/h2-8,15,19H,9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
1-(2-bromophenyl)-2-(3-chloro-4-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 1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 103039915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).