1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine

C16H26N2O2 — CID 103975552

IUPAC1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccc(OC)c(C(C)N2CCC(C(C)N)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11(17)13-7-8-18(10-13)12(2)15-9-14(19-3)5-6-16(15)20-4/h5-6,9,11-13H,7-8,10,17H2,1-4H3
InChIKeyRUKSYMYNPCUFGU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds5

About 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975552) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975552
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccc(OC)c(C(C)N2CCC(C(C)N)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11(17)13-7-8-18(10-13)12(2)15-9-14(19-3)5-6-16(15)20-4/h5-6,9,11-13H,7-8,10,17H2,1-4H3
InChIKeyRUKSYMYNPCUFGU-UHFFFAOYSA-N
XLogP2.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine
CID 81451585
3-[1-(2,5-dimethoxyphenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313891
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675
2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
CID 63596519
1-[1-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethylpiperazine
CID 63863139
5-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212747
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine (CID 103975552) is 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine is COc1ccc(OC)c(C(C)N2CCC(C(C)N)C2)c1.
What is the InChIKey of 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is RUKSYMYNPCUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(17)13-7-8-18(10-13)12(2)15-9-14(19-3)5-6-16(15)20-4/h5-6,9,11-13H,7-8,10,17H2,1-4H3.
What are the key properties of 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).