1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine

C16H17BrFNO — CID 105035605

IUPAC1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2cccc(Br)c2C)c1F
InChIInChI=1S/C16H17BrFNO/c1-10-12(6-4-7-13(10)17)14(19)9-11-5-3-8-15(20-2)16(11)18/h3-8,14H,9,19H2,1-2H3
InChIKeyQXFZHKUOVRBFTP-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine

1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 105035605) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
PubChem CID105035605
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2cccc(Br)c2C)c1F
InChIInChI=1S/C16H17BrFNO/c1-10-12(6-4-7-13(10)17)14(19)9-11-5-3-8-15(20-2)16(11)18/h3-8,14H,9,19H2,1-2H3
InChIKeyQXFZHKUOVRBFTP-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
1-(4-bromo-3,5-dimethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 114330177
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576
[1-(3-bromo-2-methylphenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105289476

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine (CID 105035605) is 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine is COc1cccc(CC(N)c2cccc(Br)c2C)c1F.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is QXFZHKUOVRBFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-12(6-4-7-13(10)17)14(19)9-11-5-3-8-15(20-2)16(11)18/h3-8,14H,9,19H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 105035605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).