2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine

C15H14BrF2NO — CID 115844728

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Br)cc2F)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8,14H,7,19H2,1H3
InChIKeyBLOGCXHMRDDLCK-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 115844728) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID115844728
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Br)cc2F)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8,14H,7,19H2,1H3
InChIKeyBLOGCXHMRDDLCK-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60877895
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065429
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 115816754
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 115844728) is 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Br)cc2F)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is BLOGCXHMRDDLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 342.18 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115844728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).