2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine

C15H15BrFN — CID 81477646

IUPAC2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(Br)cc2)c1F
InChIInChI=1S/C15H15BrFN/c1-10-3-2-4-13(15(10)17)14(18)9-11-5-7-12(16)8-6-11/h2-8,14H,9,18H2,1H3
InChIKeyBAAQPOLDWBTKBZ-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.14
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine

2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine (PubChem CID 81477646) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
PubChem CID81477646
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(Br)cc2)c1F
InChIInChI=1S/C15H15BrFN/c1-10-3-2-4-13(15(10)17)14(18)9-11-5-7-12(16)8-6-11/h2-8,14H,9,18H2,1H3
InChIKeyBAAQPOLDWBTKBZ-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-bromophenyl)-1-chloroethyl]-2-fluoro-3-methylbenzene
CID 81477923
2-(3,4-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477102
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803367
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine
CID 107538761
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 105029224
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine (CID 81477646) is 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine is Cc1cccc(C(N)Cc2ccc(Br)cc2)c1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine?
The InChIKey is BAAQPOLDWBTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-3-2-4-13(15(10)17)14(18)9-11-5-7-12(16)8-6-11/h2-8,14H,9,18H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine?
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 81477646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).