N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine

C17H20FN — CID 63647039

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccccc2)cc1F
InChIInChI=1S/C17H20FN/c1-13-8-9-16(11-17(13)18)12-19-14(2)10-15-6-4-3-5-7-15/h3-9,11,14,19H,10,12H2,1-2H3
InChIKeyNWGRWOKWJWLSLU-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.85
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine

N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine (PubChem CID 63647039) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
PubChem CID63647039
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccccc2)cc1F
InChIInChI=1S/C17H20FN/c1-13-8-9-16(11-17(13)18)12-19-14(2)10-15-6-4-3-5-7-15/h3-9,11,14,19H,10,12H2,1-2H3
InChIKeyNWGRWOKWJWLSLU-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzoic acid
CID 106700029
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
N-[[4-(difluoromethyl)phenyl]methyl]-1-phenylpropan-2-amine
CID 115523981
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
2-chloro-4-[(1-phenylpropan-2-ylamino)methyl]phenol
CID 63010391
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine (CID 63647039) is N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine is Cc1ccc(CNC(C)Cc2ccccc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine?
The InChIKey is NWGRWOKWJWLSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-8-9-16(11-17(13)18)12-19-14(2)10-15-6-4-3-5-7-15/h3-9,11,14,19H,10,12H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine?
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63647039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).