3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine

C17H19F2N — CID 79421092

IUPAC3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(F)c1F)c1ccccc1C
InChIInChI=1S/C17H19F2N/c1-12-6-3-4-8-15(12)14(11-20-2)10-13-7-5-9-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyJNFFMGQUHDHRQI-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.82
Rot. Bonds5

About 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine

3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine (PubChem CID 79421092) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
PubChem CID79421092
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(F)c1F)c1ccccc1C
InChIInChI=1S/C17H19F2N/c1-12-6-3-4-8-15(12)14(11-20-2)10-13-7-5-9-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyJNFFMGQUHDHRQI-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
CID 20546582
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79420846
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
N-methyl-2-(2-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323709
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine (CID 79421092) is 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine is CNCC(Cc1cccc(F)c1F)c1ccccc1C.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The InChIKey is JNFFMGQUHDHRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12-6-3-4-8-15(12)14(11-20-2)10-13-7-5-9-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3.
What are the key properties of 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79421092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).