1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine

C15H13BrClF2N — CID 103040190

IUPAC1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrClF2N/c1-20-15(10-6-11(16)8-12(18)7-10)5-9-2-3-14(19)13(17)4-9/h2-4,6-8,15,20H,5H2,1H3
InChIKeyOSCRBEVYEUFBNW-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.88
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine

1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine (PubChem CID 103040190) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
PubChem CID103040190
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrClF2N/c1-20-15(10-6-11(16)8-12(18)7-10)5-9-2-3-14(19)13(17)4-9/h2-4,6-8,15,20H,5H2,1H3
InChIKeyOSCRBEVYEUFBNW-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

2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
[1-(3-bromo-5-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 114013693
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 66424639
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 66425232
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
CID 103040452
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine (CID 103040190) is 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(Cl)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
The InChIKey is OSCRBEVYEUFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-20-15(10-6-11(16)8-12(18)7-10)5-9-2-3-14(19)13(17)4-9/h2-4,6-8,15,20H,5H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine?
1-(3-bromo-5-fluorophenyl)-2-(3-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-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 103040190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).