1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine

C17H20FNO — CID 105024997

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1cccc(OC)c1F
InChIInChI=1S/C17H20FNO/c1-3-13(12-8-5-4-6-9-12)17(19)14-10-7-11-15(20-2)16(14)18/h4-11,13,17H,3,19H2,1-2H3
InChIKeyVVGJXSQPONLDAQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.03
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine

1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine (PubChem CID 105024997) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine
PubChem CID105024997
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1cccc(OC)c1F
InChIInChI=1S/C17H20FNO/c1-3-13(12-8-5-4-6-9-12)17(19)14-10-7-11-15(20-2)16(14)18/h4-11,13,17H,3,19H2,1-2H3
InChIKeyVVGJXSQPONLDAQ-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
CID 115828571
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
1-(5-fluoro-2-methoxyphenyl)-2-phenylbutan-1-ol
CID 61086906
2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853891
(1S,2R)-1-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268318
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
CID 43485711
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine (CID 105024997) is 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine is CCC(c1ccccc1)C(N)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine?
The InChIKey is VVGJXSQPONLDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-13(12-8-5-4-6-9-12)17(19)14-10-7-11-15(20-2)16(14)18/h4-11,13,17H,3,19H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine?
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 105024997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).