1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine

C16H17F2NO — CID 62621995

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2cccc(F)c2)cc1F
InChIInChI=1S/C16H17F2NO/c1-16(19,12-4-3-5-13(17)9-12)10-11-6-7-15(20-2)14(18)8-11/h3-9H,10,19H2,1-2H3
InChIKeyJUAFDDKTRNVRLW-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.39
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine

1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine (PubChem CID 62621995) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
PubChem CID62621995
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2cccc(F)c2)cc1F
InChIInChI=1S/C16H17F2NO/c1-16(19,12-4-3-5-13(17)9-12)10-11-6-7-15(20-2)14(18)8-11/h3-9H,10,19H2,1-2H3
InChIKeyJUAFDDKTRNVRLW-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 82920377
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273344
2-(4-chloro-3-methoxyphenyl)-1-(3-fluorophenyl)propan-2-amine
CID 114834072
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 55096491
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62621068
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
CID 62620543
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
1-(3,4-difluorophenyl)-2-phenylpropan-2-amine
CID 82919895

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine (CID 62621995) is 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine is COc1ccc(CC(C)(N)c2cccc(F)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine?
The InChIKey is JUAFDDKTRNVRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-16(19,12-4-3-5-13(17)9-12)10-11-6-7-15(20-2)14(18)8-11/h3-9H,10,19H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62621995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).