1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine

C16H27N3 — CID 116956943

IUPAC1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
SMILESCCc1ccc(C(CC2CNCCN2C)NC)cc1
InChIInChI=1S/C16H27N3/c1-4-13-5-7-14(8-6-13)16(17-2)11-15-12-18-9-10-19(15)3/h5-8,15-18H,4,9-12H2,1-3H3
InChIKeyRSPNLFJTVAQXQS-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.80
Rot. Bonds5

About 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine

1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine (PubChem CID 116956943) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
PubChem CID116956943
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
SMILESCCc1ccc(C(CC2CNCCN2C)NC)cc1
InChIInChI=1S/C16H27N3/c1-4-13-5-7-14(8-6-13)16(17-2)11-15-12-18-9-10-19(15)3/h5-8,15-18H,4,9-12H2,1-3H3
InChIKeyRSPNLFJTVAQXQS-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956962
N-methyl-2-(1-methylpiperazin-2-yl)-1-pyridin-3-ylethanamine
CID 116956967
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
1-(2-methoxyphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956969
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
N,N-dimethyl-2-(1-methylpiperazin-2-yl)-1-pyridin-4-ylethanamine
CID 116911175
1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116941744
1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 115415275
1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline
CID 115238269
2-(4-ethylphenyl)sulfonyl-1-methylpiperazine
CID 117037170
(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine (CID 116956943) is 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine is CCc1ccc(C(CC2CNCCN2C)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine?
The InChIKey is RSPNLFJTVAQXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-13-5-7-14(8-6-13)16(17-2)11-15-12-18-9-10-19(15)3/h5-8,15-18H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine?
1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 116956943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).