2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine

C18H30N2O — CID 60973738

IUPAC2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC1CCCN1C(C)(CN)CCc1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-4-16-6-5-13-20(16)18(2,14-19)12-11-15-7-9-17(21-3)10-8-15/h7-10,16H,4-6,11-14,19H2,1-3H3
InChIKeyZXRYJOIYQJMNJW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.22
Rot. Bonds7

About 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine

2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine (PubChem CID 60973738) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine
PubChem CID60973738
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCC1CCCN1C(C)(CN)CCc1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-4-16-6-5-13-20(16)18(2,14-19)12-11-15-7-9-17(21-3)10-8-15/h7-10,16H,4-6,11-14,19H2,1-3H3
InChIKeyZXRYJOIYQJMNJW-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine (CID 60973738) is 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine is CCC1CCCN1C(C)(CN)CCc1ccc(OC)cc1.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is ZXRYJOIYQJMNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-16-6-5-13-20(16)18(2,14-19)12-11-15-7-9-17(21-3)10-8-15/h7-10,16H,4-6,11-14,19H2,1-3H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine?
2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-4-(4-methoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 60973738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).