3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one

C15H22N2O — CID 83623294

IUPAC3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc(CC2CCCN2C(=O)CCN)cc1
InChIInChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)11-14-3-2-10-17(14)15(18)8-9-16/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeyDNQLVYPRSKAHJX-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.88
Rot. Bonds4

About 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one

3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 83623294) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID83623294
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc(CC2CCCN2C(=O)CCN)cc1
InChIInChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)11-14-3-2-10-17(14)15(18)8-9-16/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeyDNQLVYPRSKAHJX-UHFFFAOYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 86813580
2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 124509626
1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 96539682
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
1-[2-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 136525446
2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79473851
2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
CID 119316545
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 81484038
5-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119184052
(3-aminocyclopentyl)-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119771492
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one (CID 83623294) is 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one is Cc1ccc(CC2CCCN2C(=O)CCN)cc1.
What is the InChIKey of 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is DNQLVYPRSKAHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-6-13(7-5-12)11-14-3-2-10-17(14)15(18)8-9-16/h4-7,14H,2-3,8-11,16H2,1H3.
What are the key properties of 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one?
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 83623294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).