3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one

C15H22N2O — CID 124509659

IUPAC3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc([C@@H]2CCCN2C(=O)CCN)cc1C
InChIInChI=1S/C15H22N2O/c1-11-5-6-13(10-12(11)2)14-4-3-9-17(14)15(18)7-8-16/h5-6,10,14H,3-4,7-9,16H2,1-2H3/t14-/m0/s1
InChIKeyYLTBQWARLAOBDR-AWEZNQCLSA-N
MW246.35 g/mol
LogP2.32
Rot. Bonds3

About 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one

3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124509659) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID124509659
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc([C@@H]2CCCN2C(=O)CCN)cc1C
InChIInChI=1S/C15H22N2O/c1-11-5-6-13(10-12(11)2)14-4-3-9-17(14)15(18)7-8-16/h5-6,10,14H,3-4,7-9,16H2,1-2H3/t14-/m0/s1
InChIKeyYLTBQWARLAOBDR-AWEZNQCLSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-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

1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94824254
methyl N-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95274537
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119291405
2-(3,5-dichlorophenyl)-1-[2-(3,4-dimethylphenyl)piperidin-1-yl]ethanone;hydrate;dihydrochloride
CID 141027279
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 55945610
4-amino-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 119328740
1-[4-[2-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92633620
1-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 86847286
3-[4-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 47078514
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one (CID 124509659) is 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one is Cc1ccc([C@@H]2CCCN2C(=O)CCN)cc1C.
What is the InChIKey of 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is YLTBQWARLAOBDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-6-13(10-12(11)2)14-4-3-9-17(14)15(18)7-8-16/h5-6,10,14H,3-4,7-9,16H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one?
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124509659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).