(3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

C15H19NO — CID 115789988

IUPAC(3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1cccc(C(N)c2c(C)oc(C)c2C)c1
InChIInChI=1S/C15H19NO/c1-9-6-5-7-13(8-9)15(16)14-10(2)11(3)17-12(14)4/h5-8,15H,16H2,1-4H3
InChIKeyMLRGXIHFDSQUIT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.56
Rot. Bonds2

About (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

(3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 115789988) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID115789988
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1cccc(C(N)c2c(C)oc(C)c2C)c1
InChIInChI=1S/C15H19NO/c1-9-6-5-7-13(8-9)15(16)14-10(2)11(3)17-12(14)4/h5-8,15H,16H2,1-4H3
InChIKeyMLRGXIHFDSQUIT-UHFFFAOYSA-N
XLogP3.56
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151589
(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105051741
(2,4,5-trimethylfuran-3-yl)-(2,4,6-trimethylphenyl)methanamine
CID 65151840
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
CID 106680388
(4-butan-2-ylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151193
6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 65151595
2-[amino-(3-methylphenyl)methyl]aniline
CID 118675282
CID 156724864
CID 156724864
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (CID 115789988) is (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is Cc1cccc(C(N)c2c(C)oc(C)c2C)c1.
What is the InChIKey of (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is MLRGXIHFDSQUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-9-6-5-7-13(8-9)15(16)14-10(2)11(3)17-12(14)4/h5-8,15H,16H2,1-4H3.
What are the key properties of (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
(3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 229.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 115789988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).