2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone

C14H20N2O — CID 124693064

IUPAC2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CN)C1
InChIInChI=1S/C14H20N2O/c1-10-5-3-4-6-13(10)12-7-11(2)16(9-12)14(17)8-15/h3-6,11-12H,7-9,15H2,1-2H3/t11-,12+/m0/s1
InChIKeyXMLNCFBSOSZCNR-NWDGAFQWSA-N
MW232.33 g/mol
LogP1.66
Rot. Bonds2

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

2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 124693064) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID124693064
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CN)C1
InChIInChI=1S/C14H20N2O/c1-10-5-3-4-6-13(10)12-7-11(2)16(9-12)14(17)8-15/h3-6,11-12H,7-9,15H2,1-2H3/t11-,12+/m0/s1
InChIKeyXMLNCFBSOSZCNR-NWDGAFQWSA-N
XLogP1.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
2-(4-aminophenyl)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124595059
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
CID 119331242
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124693628
(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
[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
1-[2-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 124506525
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119797155
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 124693064) is 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is XMLNCFBSOSZCNR-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-3-4-6-13(10)12-7-11(2)16(9-12)14(17)8-15/h3-6,11-12H,7-9,15H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124693064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).