2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine

C18H30N2O — CID 83219330

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CN2C(C)CCC2CC)cc1
InChIInChI=1S/C18H30N2O/c1-4-12-21-17-10-7-15(8-11-17)18(19)13-20-14(3)6-9-16(20)5-2/h7-8,10-11,14,16,18H,4-6,9,12-13,19H2,1-3H3
InChIKeyWASXXVUWTSSEHI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.74
Rot. Bonds7

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 83219330) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
PubChem CID83219330
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CN2C(C)CCC2CC)cc1
InChIInChI=1S/C18H30N2O/c1-4-12-21-17-10-7-15(8-11-17)18(19)13-20-14(3)6-9-16(20)5-2/h7-8,10-11,14,16,18H,4-6,9,12-13,19H2,1-3H3
InChIKeyWASXXVUWTSSEHI-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 60973388
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107521951
2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine
CID 43544509
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 66323892

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine (CID 83219330) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CN2C(C)CCC2CC)cc1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is WASXXVUWTSSEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-21-17-10-7-15(8-11-17)18(19)13-20-14(3)6-9-16(20)5-2/h7-8,10-11,14,16,18H,4-6,9,12-13,19H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 83219330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).