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

C16H27N3 — CID 115239412

IUPACN-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCc1ccc(CNCCC2CN(C)CCN2)c(C)c1
InChIInChI=1S/C16H27N3/c1-13-4-5-15(14(2)10-13)11-17-7-6-16-12-19(3)9-8-18-16/h4-5,10,16-18H,6-9,11-12H2,1-3H3
InChIKeyJNSCNYKBZXKSEY-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.69
Rot. Bonds5

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

N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine (PubChem CID 115239412) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
PubChem CID115239412
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
SMILESCc1ccc(CNCCC2CN(C)CCN2)c(C)c1
InChIInChI=1S/C16H27N3/c1-13-4-5-15(14(2)10-13)11-17-7-6-16-12-19(3)9-8-18-16/h4-5,10,16-18H,6-9,11-12H2,1-3H3
InChIKeyJNSCNYKBZXKSEY-UHFFFAOYSA-N
XLogP1.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.69
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

3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211094
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine
CID 117034300
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine
CID 116928311
4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine
CID 115239467

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine (CID 115239412) is N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine is Cc1ccc(CNCCC2CN(C)CCN2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine?
The InChIKey is JNSCNYKBZXKSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-4-5-15(14(2)10-13)11-17-7-6-16-12-19(3)9-8-18-16/h4-5,10,16-18H,6-9,11-12H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine?
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 115239412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).