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

C15H19NO — CID 113455239

IUPAC1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1cccc(C)c1C)c1occc1C
InChIInChI=1S/C15H19NO/c1-10-6-5-7-13(12(10)3)14(16-4)15-11(2)8-9-17-15/h5-9,14,16H,1-4H3
InChIKeyXNJOBTOXUFELEY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.51
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (PubChem CID 113455239) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
PubChem CID113455239
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1cccc(C)c1C)c1occc1C
InChIInChI=1S/C15H19NO/c1-10-6-5-7-13(12(10)3)14(16-4)15-11(2)8-9-17-15/h5-9,14,16H,1-4H3
InChIKeyXNJOBTOXUFELEY-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

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104805121
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 115483955
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 62548873
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43481001
1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43480129
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43486324
1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62548369

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (CID 113455239) is 1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is CNC(c1cccc(C)c1C)c1occc1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is XNJOBTOXUFELEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-6-5-7-13(12(10)3)14(16-4)15-11(2)8-9-17-15/h5-9,14,16H,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-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-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 113455239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).