1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine

C14H12BrClFN — CID 61079431

IUPAC1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrClFN/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,14H,7,18H2
InChIKeyRYCMAOZHKFNGDH-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 61079431) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID61079431
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrClFN/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,14H,7,18H2
InChIKeyRYCMAOZHKFNGDH-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

trans-(1S,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168280482
cis-(1R,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168292181
(R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 44561008
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058
(4-Bromo-2-fluorophenyl)(phenyl)methanamine hydrochloride
CID 45791636
(2-Chlorophenyl)(4-fluorophenyl)methanamine
CID 24688739
(4-Bromo-2-fluorophenyl)(phenyl)methanamine
CID 24690813
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
(4-Bromophenyl)-(2-fluorophenyl)methanamine
CID 19915062

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine (CID 61079431) is 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine is NC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is RYCMAOZHKFNGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8,14H,7,18H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)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-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 61079431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).