1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine

C15H13BrClF2N — CID 114906319

IUPAC1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1ccc(Br)cc1F
InChIInChI=1S/C15H13BrClF2N/c1-20-15(12-5-3-10(16)7-14(12)19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,15,20H,6H2,1H3
InChIKeyMVFYFZUROYRWRQ-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine

1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine (PubChem CID 114906319) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
PubChem CID114906319
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1ccc(Br)cc1F
InChIInChI=1S/C15H13BrClF2N/c1-20-15(12-5-3-10(16)7-14(12)19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,15,20H,6H2,1H3
InChIKeyMVFYFZUROYRWRQ-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

1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(4-bromothiophen-3-yl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 79595107
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
1-(4-bromo-2-fluorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63527821
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine (CID 114906319) is 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Cl)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine?
The InChIKey is MVFYFZUROYRWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-20-15(12-5-3-10(16)7-14(12)19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine?
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-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 1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 114906319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).