1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine

C15H24N2O3 — CID 103532358

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(OC)c(C(N)CN2CCC(OC)C2)c1
InChIInChI=1S/C15H24N2O3/c1-18-11-4-5-15(20-3)13(8-11)14(16)10-17-7-6-12(9-17)19-2/h4-5,8,12,14H,6-7,9-10,16H2,1-3H3
InChIKeySLCWFHBLSSHFAI-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.42
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine

1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine (PubChem CID 103532358) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
PubChem CID103532358
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(OC)c(C(N)CN2CCC(OC)C2)c1
InChIInChI=1S/C15H24N2O3/c1-18-11-4-5-15(20-3)13(8-11)14(16)10-17-7-6-12(9-17)19-2/h4-5,8,12,14H,6-7,9-10,16H2,1-3H3
InChIKeySLCWFHBLSSHFAI-UHFFFAOYSA-N
XLogP1.42
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163900
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 103532357
1-(2,4-dimethoxyphenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420654
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
1-(2,4-dimethoxyphenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16786884
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
N'-cyclohexyl-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 16790532
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
1-[(2-bromo-4-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647740

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine (CID 103532358) is 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine is COc1ccc(OC)c(C(N)CN2CCC(OC)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The InChIKey is SLCWFHBLSSHFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-18-11-4-5-15(20-3)13(8-11)14(16)10-17-7-6-12(9-17)19-2/h4-5,8,12,14H,6-7,9-10,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 103532358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).