2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine

C17H28N2O — CID 60973388

IUPAC2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CN2CCCC2CC)cc1
InChIInChI=1S/C17H28N2O/c1-3-12-20-16-9-7-14(8-10-16)17(18)13-19-11-5-6-15(19)4-2/h7-10,15,17H,3-6,11-13,18H2,1-2H3
InChIKeyFWZSATVLAMRORM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds7

About 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine

2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 60973388) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
PubChem CID60973388
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CN2CCCC2CC)cc1
InChIInChI=1S/C17H28N2O/c1-3-12-20-16-9-7-14(8-10-16)17(18)13-19-11-5-6-15(19)4-2/h7-10,15,17H,3-6,11-13,18H2,1-2H3
InChIKeyFWZSATVLAMRORM-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 83219330
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16793434
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
2-(2,5-dimethylmorpholin-4-yl)-1-(4-propoxyphenyl)ethanamine
CID 43544509
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 66323892
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine (CID 60973388) is 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CN2CCCC2CC)cc1.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is FWZSATVLAMRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-12-20-16-9-7-14(8-10-16)17(18)13-19-11-5-6-15(19)4-2/h7-10,15,17H,3-6,11-13,18H2,1-2H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine?
2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 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)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 60973388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).