1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine

C16H17BrFNO — CID 43230865

IUPAC1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccccc2F)cc1Br
InChIInChI=1S/C16H17BrFNO/c1-11(12-7-8-16(20-2)14(17)9-12)19-10-13-5-3-4-6-15(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyFTFMXIORPYOUFB-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.45
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine

1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine (PubChem CID 43230865) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
PubChem CID43230865
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccccc2F)cc1Br
InChIInChI=1S/C16H17BrFNO/c1-11(12-7-8-16(20-2)14(17)9-12)19-10-13-5-3-4-6-15(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyFTFMXIORPYOUFB-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230890
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230891
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 81431633
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9001809
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82884552
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 43230853
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine (CID 43230865) is 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine is COc1ccc(C(C)NCc2ccccc2F)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The InChIKey is FTFMXIORPYOUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(12-7-8-16(20-2)14(17)9-12)19-10-13-5-3-4-6-15(13)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43230865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).