2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

C15H22N2O3 — CID 81082575

IUPAC2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O3/c1-19-10-13(16)15(18)17-9-3-4-14(17)11-5-7-12(20-2)8-6-11/h5-8,13-14H,3-4,9-10,16H2,1-2H3
InChIKeyIJDXYVKPVNDRPI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds5

About 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 81082575) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID81082575
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O3/c1-19-10-13(16)15(18)17-9-3-4-14(17)11-5-7-12(20-2)8-6-11/h5-8,13-14H,3-4,9-10,16H2,1-2H3
InChIKeyIJDXYVKPVNDRPI-UHFFFAOYSA-N
XLogP1.33
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
2-amino-3-methoxy-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120984555
2-amino-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120984568
2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120986995
2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 79814213
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
(2S)-2-but-3-enoxy-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94806021
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one;hydrochloride
CID 166174195

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one (CID 81082575) is 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one is COCC(N)C(=O)N1CCCC1c1ccc(OC)cc1.
What is the InChIKey of 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is IJDXYVKPVNDRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-10-13(16)15(18)17-9-3-4-14(17)11-5-7-12(20-2)8-6-11/h5-8,13-14H,3-4,9-10,16H2,1-2H3.
What are the key properties of 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one?
2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 81082575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).