1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine

C16H21N3O — CID 103433843

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
SMILESCNC(c1ncc(C)cn1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C16H21N3O/c1-10-8-18-16(19-9-10)14(17-4)13-7-6-11(2)12(3)15(13)20-5/h6-9,14,17H,1-5H3
InChIKeyGRPLFVUWBAUPSC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine (PubChem CID 103433843) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
PubChem CID103433843
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
SMILESCNC(c1ncc(C)cn1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C16H21N3O/c1-10-8-18-16(19-9-10)14(17-4)13-7-6-11(2)12(3)15(13)20-5/h6-9,14,17H,1-5H3
InChIKeyGRPLFVUWBAUPSC-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 103435227
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281
1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435215
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103433587
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435225
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 103435167
1-(2-ethylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435165
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 103435556
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
1-(3-bromo-5-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 107947096
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine (CID 103433843) is 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine is CNC(c1ncc(C)cn1)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine?
The InChIKey is GRPLFVUWBAUPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-8-18-16(19-9-10)14(17-4)13-7-6-11(2)12(3)15(13)20-5/h6-9,14,17H,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine?
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.72, 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-(5-methylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 103433843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).