1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine

C14H12BrClFN — CID 62504437

IUPAC1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrClFN/c15-11-6-10(7-13(17)8-11)14(18)5-9-2-1-3-12(16)4-9/h1-4,6-8,14H,5,18H2
InChIKeyPIHIQJDVSHGVPV-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.48
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine

1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine (PubChem CID 62504437) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
PubChem CID62504437
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrClFN/c15-11-6-10(7-13(17)8-11)14(18)5-9-2-1-3-12(16)4-9/h1-4,6-8,14H,5,18H2
InChIKeyPIHIQJDVSHGVPV-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
CID 63528397
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660
2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
CID 107978121
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine (CID 62504437) is 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine is NC(Cc1cccc(Cl)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine?
The InChIKey is PIHIQJDVSHGVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-11-6-10(7-13(17)8-11)14(18)5-9-2-1-3-12(16)4-9/h1-4,6-8,14H,5,18H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine?
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine has a molecular weight of 328.61 g/mol, XLogP of 4.48, 3 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-chlorophenyl)ethanamine is sourced from PubChem (CID 62504437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).