1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine

C17H20FNO — CID 82540192

IUPAC1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cc(F)ccc2OC)cc1
InChIInChI=1S/C17H20FNO/c1-12(19-2)10-13-4-6-14(7-5-13)16-11-15(18)8-9-17(16)20-3/h4-9,11-12,19H,10H2,1-3H3
InChIKeyBPYNJODGCWISHW-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.65
Rot. Bonds5

About 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine

1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine (PubChem CID 82540192) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
PubChem CID82540192
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cc(F)ccc2OC)cc1
InChIInChI=1S/C17H20FNO/c1-12(19-2)10-13-4-6-14(7-5-13)16-11-15(18)8-9-17(16)20-3/h4-9,11-12,19H,10H2,1-3H3
InChIKeyBPYNJODGCWISHW-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
3-amino-4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208775
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
CID 21150467
(2R)-1-[4-(3,5-dimethoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 69022765
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
3-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115917453
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208829
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
CID 132766427

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine (CID 82540192) is 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2cc(F)ccc2OC)cc1.
What is the InChIKey of 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine?
The InChIKey is BPYNJODGCWISHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(19-2)10-13-4-6-14(7-5-13)16-11-15(18)8-9-17(16)20-3/h4-9,11-12,19H,10H2,1-3H3.
What are the key properties of 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine?
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 82540192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).