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

C15H19NO — CID 113453366

IUPAC1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccoc1C
InChIInChI=1S/C15H19NO/c1-10-7-11(2)9-13(8-10)15(16-4)14-5-6-17-12(14)3/h5-9,15-16H,1-4H3
InChIKeyMJUHTECCPLLQJT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.51
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 113453366) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID113453366
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccoc1C
InChIInChI=1S/C15H19NO/c1-10-7-11(2)9-13(8-10)15(16-4)14-5-6-17-12(14)3/h5-9,15-16H,1-4H3
InChIKeyMJUHTECCPLLQJT-UHFFFAOYSA-N
XLogP3.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 43484197
N-methyl-1-(2-methylfuran-3-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43483972
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
CID 114730952
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797532
1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43484074
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43486875
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
N-methyl-1-(2-methylfuran-3-yl)-1-thiophen-2-ylmethanamine
CID 43483393
N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789901
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 80533134

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 113453366) is 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CNC(c1cc(C)cc(C)c1)c1ccoc1C.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is MJUHTECCPLLQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-7-11(2)9-13(8-10)15(16-4)14-5-6-17-12(14)3/h5-9,15-16H,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 229.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 113453366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).