3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride

C15H23ClN2O — CID 119704820

IUPAC3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCc1ccc(C2CCCN2C(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-5-7-13(8-6-11)14-4-3-9-17(14)15(18)10-12(2)16;/h5-8,12,14H,3-4,9-10,16H2,1-2H3;1H
InChIKeyMYDHCYQPSNUSTB-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.82
Rot. Bonds3

About 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride

3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119704820) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
PubChem CID119704820
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCc1ccc(C2CCCN2C(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-5-7-13(8-6-11)14-4-3-9-17(14)15(18)10-12(2)16;/h5-8,12,14H,3-4,9-10,16H2,1-2H3;1H
InChIKeyMYDHCYQPSNUSTB-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119721633
3-amino-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 119700980
4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120592293
4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one
CID 120592294
3-amino-2-methyl-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120500863
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 95216392
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
3-amino-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 119890340
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride (CID 119704820) is 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride is Cc1ccc(C2CCCN2C(=O)CC(C)N)cc1.Cl.
What is the InChIKey of 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is MYDHCYQPSNUSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-5-7-13(8-6-11)14-4-3-9-17(14)15(18)10-12(2)16;/h5-8,12,14H,3-4,9-10,16H2,1-2H3;1H.
What are the key properties of 3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 2.82, 3 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)pyrrolidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119704820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).