1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine

C17H20FN — CID 54912003

IUPAC1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H20FN/c1-4-17(19-3)14-7-5-13(6-8-14)15-9-10-16(18)12(2)11-15/h5-11,17,19H,4H2,1-3H3
InChIKeyZNYVXSNNATZXFG-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.47
Rot. Bonds4

About 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine

1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 54912003) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
PubChem CID54912003
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H20FN/c1-4-17(19-3)14-7-5-13(6-8-14)15-9-10-16(18)12(2)11-15/h5-11,17,19H,4H2,1-3H3
InChIKeyZNYVXSNNATZXFG-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
CID 63424528
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
CID 105350097
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine
CID 113447308
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine (CID 54912003) is 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is ZNYVXSNNATZXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-17(19-3)14-7-5-13(6-8-14)15-9-10-16(18)12(2)11-15/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine?
1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 54912003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).