(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine

C14H23N3O — CID 116941246

IUPAC(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1CNCCN1C
InChIInChI=1S/C14H23N3O/c1-10-4-5-13(18-3)11(8-10)14(15)12-9-16-6-7-17(12)2/h4-5,8,12,14,16H,6-7,9,15H2,1-3H3
InChIKeyGPEGDTVFBWYVJL-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.91
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine

(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine (PubChem CID 116941246) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
PubChem CID116941246
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1CNCCN1C
InChIInChI=1S/C14H23N3O/c1-10-4-5-13(18-3)11(8-10)14(15)12-9-16-6-7-17(12)2/h4-5,8,12,14,16H,6-7,9,15H2,1-3H3
InChIKeyGPEGDTVFBWYVJL-UHFFFAOYSA-N
XLogP0.91
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941249
(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941250
(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941308
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941309
1-(2-methoxy-5-methylphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946739
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
CID 116941283
(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65391223
2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105143996
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525489
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine (CID 116941246) is (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine is COc1ccc(C)cc1C(N)C1CNCCN1C.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is GPEGDTVFBWYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-4-5-13(18-3)11(8-10)14(15)12-9-16-6-7-17(12)2/h4-5,8,12,14,16H,6-7,9,15H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine?
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 249.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).