N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

C18H31N3 — CID 114537943

IUPACN-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCCNC(CN1CC(C)N(C)C(C)C1)c1ccccc1C
InChIInChI=1S/C18H31N3/c1-6-19-18(17-10-8-7-9-14(17)2)13-21-11-15(3)20(5)16(4)12-21/h7-10,15-16,18-19H,6,11-13H2,1-5H3
InChIKeyKEQIOJBPNNROPK-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.67
Rot. Bonds5

About N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (PubChem CID 114537943) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
PubChem CID114537943
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCCNC(CN1CC(C)N(C)C(C)C1)c1ccccc1C
InChIInChI=1S/C18H31N3/c1-6-19-18(17-10-8-7-9-14(17)2)13-21-11-15(3)20(5)16(4)12-21/h7-10,15-16,18-19H,6,11-13H2,1-5H3
InChIKeyKEQIOJBPNNROPK-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490466
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64576858
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682
N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66392876
N-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 107392171

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (CID 114537943) is N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is CCNC(CN1CC(C)N(C)C(C)C1)c1ccccc1C.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is KEQIOJBPNNROPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-19-18(17-10-8-7-9-14(17)2)13-21-11-15(3)20(5)16(4)12-21/h7-10,15-16,18-19H,6,11-13H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114537943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).