N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine

C15H19NO — CID 55081933

IUPACN-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1cc(C)cc(CNCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO/c1-11-6-12(2)8-14(7-11)9-16-10-15-5-4-13(3)17-15/h4-8,16H,9-10H2,1-3H3
InChIKeyIXKCHZFECIQMHY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.49
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine

N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 55081933) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID55081933
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1cc(C)cc(CNCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO/c1-11-6-12(2)8-14(7-11)9-16-10-15-5-4-13(3)17-15/h4-8,16H,9-10H2,1-3H3
InChIKeyIXKCHZFECIQMHY-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
CID 115213024
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686
2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 62523498
N-[(5-methylfuran-2-yl)methyl]-1-(3-nitrophenyl)methanamine
CID 62504349
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 107038302
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 62523844
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115693305
1-(2-methylcyclopropyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 115594065

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine (CID 55081933) is N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine is Cc1cc(C)cc(CNCc2ccc(C)o2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is IXKCHZFECIQMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-6-12(2)8-14(7-11)9-16-10-15-5-4-13(3)17-15/h4-8,16H,9-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 229.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 55081933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).