1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine

C17H28N2O2 — CID 43315157

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H28N2O2/c1-4-9-18-15-8-11-19(13-15)10-7-14-5-6-16(20-2)17(12-14)21-3/h5-6,12,15,18H,4,7-11,13H2,1-3H3
InChIKeyYICRPIPZKZAXSO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.32
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 43315157) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
PubChem CID43315157
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H28N2O2/c1-4-9-18-15-8-11-19(13-15)10-7-14-5-6-16(20-2)17(12-14)21-3/h5-6,12,15,18H,4,7-11,13H2,1-3H3
InChIKeyYICRPIPZKZAXSO-UHFFFAOYSA-N
XLogP2.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 43555074
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine
CID 68687798
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]isoindole-1,3-dione
CID 15045352
1-[3-(3,4-dimethoxyphenyl)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017626
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 166264057

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine (CID 43315157) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine is CCCNC1CCN(CCc2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is YICRPIPZKZAXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-9-18-15-8-11-19(13-15)10-7-14-5-6-16(20-2)17(12-14)21-3/h5-6,12,15,18H,4,7-11,13H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine?
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 292.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 43315157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).