1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine

C17H19F2N — CID 105141947

IUPAC1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccc(C)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H19F2N/c1-12-3-5-13(6-4-12)7-8-17(20-2)14-9-15(18)11-16(19)10-14/h3-6,9-11,17,20H,7-8H2,1-2H3
InChIKeyFDCUAHOIVVZMQM-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.17
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine

1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105141947) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105141947
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccc(C)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H19F2N/c1-12-3-5-13(6-4-12)7-8-17(20-2)14-9-15(18)11-16(19)10-14/h3-6,9-11,17,20H,7-8H2,1-2H3
InChIKeyFDCUAHOIVVZMQM-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608
1-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105093256
1-(3-fluorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105092929
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419
N-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
N-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105094431
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105142044
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine (CID 105141947) is 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine is CNC(CCc1ccc(C)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is FDCUAHOIVVZMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12-3-5-13(6-4-12)7-8-17(20-2)14-9-15(18)11-16(19)10-14/h3-6,9-11,17,20H,7-8H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105141947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).