2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine

C18H31N3O — CID 83979077

IUPAC2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(CN)N1CCN(CC)C(CC)C1
InChIInChI=1S/C18H31N3O/c1-4-15-14-21(12-11-20(15)5-2)17(13-19)16-9-7-8-10-18(16)22-6-3/h7-10,15,17H,4-6,11-14,19H2,1-3H3
InChIKeyQOYNJEFVVXNPOR-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.50
Rot. Bonds7

About 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine

2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine (PubChem CID 83979077) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine
PubChem CID83979077
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(CN)N1CCN(CC)C(CC)C1
InChIInChI=1S/C18H31N3O/c1-4-15-14-21(12-11-20(15)5-2)17(13-19)16-9-7-8-10-18(16)22-6-3/h7-10,15,17H,4-6,11-14,19H2,1-3H3
InChIKeyQOYNJEFVVXNPOR-UHFFFAOYSA-N
XLogP2.50
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)acetic acid
CID 83979102
2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine
CID 83979259
(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979822
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
2-(2-ethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)acetonitrile
CID 112539891
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine
CID 83979923
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine
CID 62884895
2-(2,5-dimethylmorpholin-4-yl)-2-(2-ethoxyphenyl)ethanamine
CID 43544351
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine (CID 83979077) is 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(CN)N1CCN(CC)C(CC)C1.
What is the InChIKey of 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine?
The InChIKey is QOYNJEFVVXNPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-15-14-21(12-11-20(15)5-2)17(13-19)16-9-7-8-10-18(16)22-6-3/h7-10,15,17H,4-6,11-14,19H2,1-3H3.
What are the key properties of 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine?
2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine has a molecular weight of 305.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 83979077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).