2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine

C15H13BrClF2N — CID 79709381

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cccc(Cl)c1F
InChIInChI=1S/C15H13BrClF2N/c1-20-14(12-3-2-4-13(17)15(12)19)7-9-5-10(16)8-11(18)6-9/h2-6,8,14,20H,7H2,1H3
InChIKeyFNLXJXPTMVHNNE-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.88
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine

2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 79709381) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID79709381
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cccc(Cl)c1F
InChIInChI=1S/C15H13BrClF2N/c1-20-14(12-3-2-4-13(17)15(12)19)7-9-5-10(16)8-11(18)6-9/h2-6,8,14,20H,7H2,1H3
InChIKeyFNLXJXPTMVHNNE-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406219
2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64713817
1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 107103195
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
2-(3-bromo-5-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105015525
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
CID 105015718
1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 79700055
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine (CID 79709381) is 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is FNLXJXPTMVHNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-20-14(12-3-2-4-13(17)15(12)19)7-9-5-10(16)8-11(18)6-9/h2-6,8,14,20H,7H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 360.63 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 79709381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).