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

C17H20FN — CID 63012959

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
SMILESCc1cc(F)ccc1CNC(C)Cc1ccccc1
InChIInChI=1S/C17H20FN/c1-13-10-17(18)9-8-16(13)12-19-14(2)11-15-6-4-3-5-7-15/h3-10,14,19H,11-12H2,1-2H3
InChIKeyXJCGHNTYLFREJV-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.85
Rot. Bonds5

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

N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine (PubChem CID 63012959) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
PubChem CID63012959
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
SMILESCc1cc(F)ccc1CNC(C)Cc1ccccc1
InChIInChI=1S/C17H20FN/c1-13-10-17(18)9-8-16(13)12-19-14(2)11-15-6-4-3-5-7-15/h3-10,14,19H,11-12H2,1-2H3
InChIKeyXJCGHNTYLFREJV-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

N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylpropan-2-amine
CID 63012971
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
CID 113407488
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 106862630
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine (CID 63012959) is N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine is Cc1cc(F)ccc1CNC(C)Cc1ccccc1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine?
The InChIKey is XJCGHNTYLFREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-10-17(18)9-8-16(13)12-19-14(2)11-15-6-4-3-5-7-15/h3-10,14,19H,11-12H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine?
N-[(4-fluoro-2-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-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63012959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).