1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

C15H21N3O — CID 103433587

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H21N3O/c1-10-6-7-12(15(19-5)11(10)2)14(16-3)13-8-9-18(4)17-13/h6-9,14,16H,1-5H3
InChIKeyXPSKFNNPFNRBHM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103433587) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID103433587
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H21N3O/c1-10-6-7-12(15(19-5)11(10)2)14(16-3)13-8-9-18(4)17-13/h6-9,14,16H,1-5H3
InChIKeyXPSKFNNPFNRBHM-UHFFFAOYSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200164
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
CID 103433843
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 103135486
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200322
N-methyl-1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 79987622
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 103435556
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200840
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
CID 103135765
1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103135686
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114030303
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 103435227

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 103433587) is 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CNC(c1ccn(C)n1)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is XPSKFNNPFNRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-6-7-12(15(19-5)11(10)2)14(16-3)13-8-9-18(4)17-13/h6-9,14,16H,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103433587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).