1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

C15H13BrClF2N — CID 105412254

IUPAC1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrClF2N/c1-20-15(13-7-10(16)2-3-14(13)17)6-9-4-11(18)8-12(19)5-9/h2-5,7-8,15,20H,6H2,1H3
InChIKeyTWCYWFOAHASQEF-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.88
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (PubChem CID 105412254) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
PubChem CID105412254
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrClF2N/c1-20-15(13-7-10(16)2-3-14(13)17)6-9-4-11(18)8-12(19)5-9/h2-5,7-8,15,20H,6H2,1H3
InChIKeyTWCYWFOAHASQEF-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-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892554
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406219
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892172
1-(4-bromo-2-fluorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63527821

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (CID 105412254) is 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The InChIKey is TWCYWFOAHASQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-20-15(13-7-10(16)2-3-14(13)17)6-9-4-11(18)8-12(19)5-9/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-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 1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105412254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).