(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine

C14H19N3O — CID 107977950

IUPAC(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
SMILESCOc1c(C(N)c2cn(C)cn2)ccc(C)c1C
InChIInChI=1S/C14H19N3O/c1-9-5-6-11(14(18-4)10(9)2)13(15)12-7-17(3)8-16-12/h5-8,13H,15H2,1-4H3
InChIKeyFWOUMHRHHLWCSD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.09
Rot. Bonds3

About (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine

(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine (PubChem CID 107977950) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
PubChem CID107977950
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
SMILESCOc1c(C(N)c2cn(C)cn2)ccc(C)c1C
InChIInChI=1S/C14H19N3O/c1-9-5-6-11(14(18-4)10(9)2)13(15)12-7-17(3)8-16-12/h5-8,13H,15H2,1-4H3
InChIKeyFWOUMHRHHLWCSD-UHFFFAOYSA-N
XLogP2.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 103433834
(2-methoxy-3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 103433515
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974964
(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine
CID 114023159
(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 103435543
4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole
CID 134093732
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103433587
4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 103435266
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine (CID 107977950) is (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine is COc1c(C(N)c2cn(C)cn2)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine?
The InChIKey is FWOUMHRHHLWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-5-6-11(14(18-4)10(9)2)13(15)12-7-17(3)8-16-12/h5-8,13H,15H2,1-4H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine?
(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107977950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).