2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

C17H29N3 — CID 114537626

IUPAC2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCCc1ccccc1C(CN)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C17H29N3/c1-5-15-8-6-7-9-16(15)17(10-18)20-11-13(2)19(4)14(3)12-20/h6-9,13-14,17H,5,10-12,18H2,1-4H3
InChIKeyCJCHFXXPNGOVAI-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (PubChem CID 114537626) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
PubChem CID114537626
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCCc1ccccc1C(CN)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C17H29N3/c1-5-15-8-6-7-9-16(15)17(10-18)20-11-13(2)19(4)14(3)12-20/h6-9,13-14,17H,5,10-12,18H2,1-4H3
InChIKeyCJCHFXXPNGOVAI-UHFFFAOYSA-N
XLogP2.27
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 55067304
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810
2-(2-ethylphenyl)-2-morpholin-4-ylethanamine
CID 62392799
2-(2-ethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964789
2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 62414680
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62416646
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62414478
2-pyridin-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537050
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 79182595
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(2-ethylphenyl)ethanamine
CID 64575514

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (CID 114537626) is 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is CCc1ccccc1C(CN)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is CJCHFXXPNGOVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-15-8-6-7-9-16(15)17(10-18)20-11-13(2)19(4)14(3)12-20/h6-9,13-14,17H,5,10-12,18H2,1-4H3.
What are the key properties of 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114537626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).