1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine

C17H20FN — CID 105373668

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1)Cc1cc(F)ccc1C
InChIInChI=1S/C17H20FN/c1-13-8-9-16(18)11-15(13)12-17(19-2)10-14-6-4-3-5-7-14/h3-9,11,17,19H,10,12H2,1-2H3
InChIKeyOJADZNIIVNSMIK-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.51
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine

1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine (PubChem CID 105373668) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
PubChem CID105373668
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1)Cc1cc(F)ccc1C
InChIInChI=1S/C17H20FN/c1-13-8-9-16(18)11-15(13)12-17(19-2)10-14-6-4-3-5-7-14/h3-9,11,17,19H,10,12H2,1-2H3
InChIKeyOJADZNIIVNSMIK-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696
1-(5-fluoro-2-methylphenyl)-N-methyl-4-phenoxybutan-2-amine
CID 105373609
(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216517
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373667
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine (CID 105373668) is 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine is CNC(Cc1ccccc1)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine?
The InChIKey is OJADZNIIVNSMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-8-9-16(18)11-15(13)12-17(19-2)10-14-6-4-3-5-7-14/h3-9,11,17,19H,10,12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine?
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine is sourced from PubChem (CID 105373668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).