1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine

C15H14Br2FN — CID 107945130

IUPAC1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2FN/c1-19-15(8-10-3-2-4-12(18)7-10)13-6-5-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3
InChIKeyYHSOTIXMVMITHX-UHFFFAOYSA-N
MW387.09 g/mol
LogP4.85
Rot. Bonds4

About 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine

1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 107945130) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID107945130
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H14Br2FN/c1-19-15(8-10-3-2-4-12(18)7-10)13-6-5-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3
InChIKeyYHSOTIXMVMITHX-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 107945186
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 107539107
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63526365
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865099
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine (CID 107945130) is 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is YHSOTIXMVMITHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-19-15(8-10-3-2-4-12(18)7-10)13-6-5-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 387.09 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107945130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).