(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine

C15H25N3O — CID 116941397

IUPAC(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CN(C)CCN2)c(C)c1C
InChIInChI=1S/C15H25N3O/c1-10-11(2)14(19-4)6-5-12(10)15(16)13-9-18(3)8-7-17-13/h5-6,13,15,17H,7-9,16H2,1-4H3
InChIKeyZGVNGLPAUXLPKV-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.22
Rot. Bonds3

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

(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine (PubChem CID 116941397) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
PubChem CID116941397
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CN(C)CCN2)c(C)c1C
InChIInChI=1S/C15H25N3O/c1-10-11(2)14(19-4)6-5-12(10)15(16)13-9-18(3)8-7-17-13/h5-6,13,15,17H,7-9,16H2,1-4H3
InChIKeyZGVNGLPAUXLPKV-UHFFFAOYSA-N
XLogP1.22
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
3-(2,4-dimethoxy-3-methylphenyl)-1-methylpiperazine
CID 82297569
(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941348
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941381
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
1-(4-methoxy-2,3-dimethylphenyl)-2-morpholin-3-ylethanamine
CID 116941505
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine (CID 116941397) is (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine is COc1ccc(C(N)C2CN(C)CCN2)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is ZGVNGLPAUXLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10-11(2)14(19-4)6-5-12(10)15(16)13-9-18(3)8-7-17-13/h5-6,13,15,17H,7-9,16H2,1-4H3.
What are the key properties of (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine?
(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).