2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one

C15H22N2O3 — CID 103533196

IUPAC2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
SMILESCOC1CN(C(=O)C(N)Cc2ccccc2)CC1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-9-17(10-14(13)20-2)15(18)12(16)8-11-6-4-3-5-7-11/h3-7,12-14H,8-10,16H2,1-2H3
InChIKeyQJBAJRXEQPYQJK-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.43
Rot. Bonds5

About 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one

2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one (PubChem CID 103533196) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
PubChem CID103533196
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
SMILESCOC1CN(C(=O)C(N)Cc2ccccc2)CC1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-9-17(10-14(13)20-2)15(18)12(16)8-11-6-4-3-5-7-11/h3-7,12-14H,8-10,16H2,1-2H3
InChIKeyQJBAJRXEQPYQJK-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one 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

2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
CID 70099178
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
CID 125133936
2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119880268
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124681786

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one (CID 103533196) is 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one is COC1CN(C(=O)C(N)Cc2ccccc2)CC1OC.
What is the InChIKey of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is QJBAJRXEQPYQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-9-17(10-14(13)20-2)15(18)12(16)8-11-6-4-3-5-7-11/h3-7,12-14H,8-10,16H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one?
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 278.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 103533196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).