4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one

C15H22N2O — CID 119327765

IUPAC4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
SMILESCC1CC(c2ccccc2)CN1C(=O)CCCN
InChIInChI=1S/C15H22N2O/c1-12-10-14(13-6-3-2-4-7-13)11-17(12)15(18)8-5-9-16/h2-4,6-7,12,14H,5,8-11,16H2,1H3
InChIKeyWJDKTSQJFJUBQJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds4

About 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one

4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one (PubChem CID 119327765) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
PubChem CID119327765
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
SMILESCC1CC(c2ccccc2)CN1C(=O)CCCN
InChIInChI=1S/C15H22N2O/c1-12-10-14(13-6-3-2-4-7-13)11-17(12)15(18)8-5-9-16/h2-4,6-7,12,14H,5,8-11,16H2,1H3
InChIKeyWJDKTSQJFJUBQJ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
(1-aminocyclopropyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119790908
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119790957
2-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-phenylethanone;hydrochloride
CID 119327754
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid
CID 57185513
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793803
4-amino-1-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)butan-1-one
CID 119893341
1-(2-methyl-4-phenylpyrrolidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119790946

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one (CID 119327765) is 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one is CC1CC(c2ccccc2)CN1C(=O)CCCN.
What is the InChIKey of 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one?
The InChIKey is WJDKTSQJFJUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-10-14(13-6-3-2-4-7-13)11-17(12)15(18)8-5-9-16/h2-4,6-7,12,14H,5,8-11,16H2,1H3.
What are the key properties of 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one?
4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 119327765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).