(1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine

C14H12BrF2N — CID 44561008

IUPAC(1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrF2N/c15-11-3-1-9(2-4-11)14(18)8-10-7-12(16)5-6-13(10)17/h1-7,14H,8,18H2/t14-/m1/s1
InChIKeyOFOGDXCHHOPATD-CQSZACIVSA-N
MW312.16 g/mol
LogP3.97
Rot. Bonds3

About (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine

(1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine (PubChem CID 44561008) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine
PubChem CID44561008
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name(1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrF2N/c15-11-3-1-9(2-4-11)14(18)8-10-7-12(16)5-6-13(10)17/h1-7,14H,8,18H2/t14-/m1/s1
InChIKeyOFOGDXCHHOPATD-CQSZACIVSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-alpha-methylbenzeneethanamine
CID 205668
4-Bromobenzylamine
CID 77571
1-(4-Bromophenyl)ethylamine
CID 91175
p-Bromophenethylamine
CID 533915
(4-Bromo-2-fluorophenyl)methanamine
CID 3770848
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
2-(4-Bromophenyl)-2-phenylethanamine
CID 25139019
trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 124596247
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
4-Fluoro-alpha-(4-fluorophenyl)benzenemethanamine
CID 10955039
(S)-1-(3-bromophenyl)ethanamine
CID 9952938
(alphaS)-4-Bromo-alpha-methylbenzenemethanamine
CID 852999

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine (CID 44561008) is (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine is N[C@H](Cc1cc(F)ccc1F)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine?
The InChIKey is OFOGDXCHHOPATD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12BrF2N/c15-11-3-1-9(2-4-11)14(18)8-10-7-12(16)5-6-13(10)17/h1-7,14H,8,18H2/t14-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine?
(1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine has a molecular weight of 312.16 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 44561008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).