2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine

C19H32N2O — CID 83974261

IUPAC2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(CN)c2ccc(OCC)cc2C)CC1
InChIInChI=1S/C19H32N2O/c1-4-10-21-11-8-16(9-12-21)19(14-20)18-7-6-17(22-5-2)13-15(18)3/h6-7,13,16,19H,4-5,8-12,14,20H2,1-3H3
InChIKeyJGWJJBIRUMKORH-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine

2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine (PubChem CID 83974261) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
PubChem CID83974261
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(CN)c2ccc(OCC)cc2C)CC1
InChIInChI=1S/C19H32N2O/c1-4-10-21-11-8-16(9-12-21)19(14-20)18-7-6-17(22-5-2)13-15(18)3/h6-7,13,16,19H,4-5,8-12,14,20H2,1-3H3
InChIKeyJGWJJBIRUMKORH-UHFFFAOYSA-N
XLogP3.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83972813
2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83974266
2-(4-ethoxy-2-methylphenyl)-2-(2-methylcyclohexyl)ethanamine
CID 83974256
2-(3-propoxyphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83973352
2-(1-propylpiperidin-4-yl)-2-pyridin-2-ylethanamine
CID 83975803
2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973250
2-(1-methylpiperidin-4-yl)-2-(2,3,4-trimethylphenyl)ethanamine
CID 116825043
2-(2,4-dimethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973119
2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974682
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 62865937

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine (CID 83974261) is 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine is CCCN1CCC(C(CN)c2ccc(OCC)cc2C)CC1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine?
The InChIKey is JGWJJBIRUMKORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-10-21-11-8-16(9-12-21)19(14-20)18-7-6-17(22-5-2)13-15(18)3/h6-7,13,16,19H,4-5,8-12,14,20H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine?
2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine has a molecular weight of 304.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 83974261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).