1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine

C19H24FN — CID 63417221

IUPAC1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1ccc(F)cc1C
InChIInChI=1S/C19H24FN/c1-3-13-21-19(12-9-16-7-5-4-6-8-16)18-11-10-17(20)14-15(18)2/h4-8,10-11,14,19,21H,3,9,12-13H2,1-2H3
InChIKeyMDSMWYOOTBHRPL-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.81
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine

1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine (PubChem CID 63417221) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
PubChem CID63417221
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1ccc(F)cc1C
InChIInChI=1S/C19H24FN/c1-3-13-21-19(12-9-16-7-5-4-6-8-16)18-11-10-17(20)14-15(18)2/h4-8,10-11,14,19,21H,3,9,12-13H2,1-2H3
InChIKeyMDSMWYOOTBHRPL-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
CID 63420157
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65385277
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
1-(4-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142781
3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 81269673
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine (CID 63417221) is 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine is CCCNC(CCc1ccccc1)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine?
The InChIKey is MDSMWYOOTBHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-3-13-21-19(12-9-16-7-5-4-6-8-16)18-11-10-17(20)14-15(18)2/h4-8,10-11,14,19,21H,3,9,12-13H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine?
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 63417221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).