2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine

C15H25N3O — CID 115238770

IUPAC2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
SMILESCOc1ccccc1CCNCC1CN(C)CCN1
InChIInChI=1S/C15H25N3O/c1-18-10-9-17-14(12-18)11-16-8-7-13-5-3-4-6-15(13)19-2/h3-6,14,16-17H,7-12H2,1-2H3
InChIKeyUKRVFLLZSXJNLS-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.73
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine

2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine (PubChem CID 115238770) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
PubChem CID115238770
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
SMILESCOc1ccccc1CCNCC1CN(C)CCN1
InChIInChI=1S/C15H25N3O/c1-18-10-9-17-14(12-18)11-16-8-7-13-5-3-4-6-15(13)19-2/h3-6,14,16-17H,7-12H2,1-2H3
InChIKeyUKRVFLLZSXJNLS-UHFFFAOYSA-N
XLogP0.73
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106259714
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
CID 106261625
(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 124945908

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine (CID 115238770) is 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine is COc1ccccc1CCNCC1CN(C)CCN1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The InChIKey is UKRVFLLZSXJNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18-10-9-17-14(12-18)11-16-8-7-13-5-3-4-6-15(13)19-2/h3-6,14,16-17H,7-12H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 115238770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).