3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine

C15H19NO — CID 79420846

IUPAC3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccco1)c1ccccc1C
InChIInChI=1S/C15H19NO/c1-12-6-3-4-8-15(12)13(11-16-2)10-14-7-5-9-17-14/h3-9,13,16H,10-11H2,1-2H3
InChIKeyXXWGXJCKARLGMV-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.13
Rot. Bonds5

About 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine

3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine (PubChem CID 79420846) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
PubChem CID79420846
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccco1)c1ccccc1C
InChIInChI=1S/C15H19NO/c1-12-6-3-4-8-15(12)13(11-16-2)10-14-7-5-9-17-14/h3-9,13,16H,10-11H2,1-2H3
InChIKeyXXWGXJCKARLGMV-UHFFFAOYSA-N
XLogP3.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(furan-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79421182
N-methyl-2-(2-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323709
2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
CID 79439686
2-(furan-2-ylmethyl)-N-methylbutan-1-amine
CID 62998864
N-[2-(2-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79448849
3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79421092
1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 103517029
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125
3-(1,3-benzothiazol-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 104631907
2-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 63000314
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine (CID 79420846) is 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine is CNCC(Cc1ccco1)c1ccccc1C.
What is the InChIKey of 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The InChIKey is XXWGXJCKARLGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-6-3-4-8-15(12)13(11-16-2)10-14-7-5-9-17-14/h3-9,13,16H,10-11H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79420846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).