2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one

C16H24N2O — CID 124693628

IUPAC2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(C)(C)N)C1
InChIInChI=1S/C16H24N2O/c1-11-7-5-6-8-14(11)13-9-12(2)18(10-13)15(19)16(3,4)17/h5-8,12-13H,9-10,17H2,1-4H3/t12-,13-/m1/s1
InChIKeyJCOWKKROQYCLMV-CHWSQXEVSA-N
MW260.38 g/mol
LogP2.44
Rot. Bonds2

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

2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124693628) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID124693628
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(C)(C)N)C1
InChIInChI=1S/C16H24N2O/c1-11-7-5-6-8-14(11)13-9-12(2)18(10-13)15(19)16(3,4)17/h5-8,12-13H,9-10,17H2,1-4H3/t12-,13-/m1/s1
InChIKeyJCOWKKROQYCLMV-CHWSQXEVSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124693064
2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124595969
(2S)-2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 119331256
2-(4-aminophenyl)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124595059
[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119331250
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119331242
2-(4-aminophenyl)-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119042669
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119331241
(2S)-2-amino-1-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688046
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119797155
[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135055

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one (CID 124693628) is 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one is Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(C)(C)N)C1.
What is the InChIKey of 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is JCOWKKROQYCLMV-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-5-6-8-14(11)13-9-12(2)18(10-13)15(19)16(3,4)17/h5-8,12-13H,9-10,17H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one?
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124693628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).