1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine

C15H15BrFNO — CID 61079421

IUPAC1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H15BrFNO/c1-19-14-4-2-10(3-5-14)6-15(18)11-7-12(16)9-13(17)8-11/h2-5,7-9,15H,6,18H2,1H3
InChIKeyCOAJWPCLKDNWDV-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.84
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine

1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 61079421) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID61079421
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H15BrFNO/c1-19-14-4-2-10(3-5-14)6-15(18)11-7-12(16)9-13(17)8-11/h2-5,7-9,15H,6,18H2,1H3
InChIKeyCOAJWPCLKDNWDV-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
CID 63528397
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
1-(3-bromo-5-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 66425822
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
CID 107973873
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine (CID 61079421) is 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is COAJWPCLKDNWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-19-14-4-2-10(3-5-14)6-15(18)11-7-12(16)9-13(17)8-11/h2-5,7-9,15H,6,18H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine?
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 61079421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).