N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine

C15H25N3 — CID 115239622

IUPACN-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine
SMILESCc1ccccc1CNCCC1CNCCN1C
InChIInChI=1S/C15H25N3/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17-9-10-18(15)2/h3-6,15-17H,7-12H2,1-2H3
InChIKeySOBWFVGXMJDELV-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.38
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine

N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine (PubChem CID 115239622) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine
PubChem CID115239622
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine
SMILESCc1ccccc1CNCCC1CNCCN1C
InChIInChI=1S/C15H25N3/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17-9-10-18(15)2/h3-6,15-17H,7-12H2,1-2H3
InChIKeySOBWFVGXMJDELV-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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

N-[(4-chlorophenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine
CID 115239608
1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
CID 116928083
N-[2-(1-methylpiperazin-2-yl)ethyl]pyridin-4-amine
CID 115239546
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
4-methyl-N-[2-(1-methylpiperazin-2-yl)ethyl]pyrimidin-2-amine
CID 117044303
1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole
CID 116928367
1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84636732
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238409
N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine
CID 115238371
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine (CID 115239622) is N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine is Cc1ccccc1CNCCC1CNCCN1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine?
The InChIKey is SOBWFVGXMJDELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17-9-10-18(15)2/h3-6,15-17H,7-12H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine?
N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(1-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 115239622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).