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

C15H25N3 — CID 115238743

IUPAC2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
SMILESCc1ccc(CCNCC2CN(C)CCN2)cc1
InChIInChI=1S/C15H25N3/c1-13-3-5-14(6-4-13)7-8-16-11-15-12-18(2)10-9-17-15/h3-6,15-17H,7-12H2,1-2H3
InChIKeyCGTWJATVSCZEBI-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.03
Rot. Bonds5

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

2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine (PubChem CID 115238743) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
PubChem CID115238743
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
SMILESCc1ccc(CCNCC2CN(C)CCN2)cc1
InChIInChI=1S/C15H25N3/c1-13-3-5-14(6-4-13)7-8-16-11-15-12-18(2)10-9-17-15/h3-6,15-17H,7-12H2,1-2H3
InChIKeyCGTWJATVSCZEBI-UHFFFAOYSA-N
XLogP1.03
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238770
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 59060023

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine (CID 115238743) is 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine is Cc1ccc(CCNCC2CN(C)CCN2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
The InChIKey is CGTWJATVSCZEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-3-5-14(6-4-13)7-8-16-11-15-12-18(2)10-9-17-15/h3-6,15-17H,7-12H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine?
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 115238743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).