2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone

C15H22N2O — CID 116851324

IUPAC2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(N)C(=O)N2CCCC2)cc1C
InChIInChI=1S/C15H22N2O/c1-10-8-12(3)13(9-11(10)2)14(16)15(18)17-6-4-5-7-17/h8-9,14H,4-7,16H2,1-3H3
InChIKeyBAWXRSSNIHTCLF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone

2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone (PubChem CID 116851324) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
PubChem CID116851324
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(N)C(=O)N2CCCC2)cc1C
InChIInChI=1S/C15H22N2O/c1-10-8-12(3)13(9-11(10)2)14(16)15(18)17-6-4-5-7-17/h8-9,14H,4-7,16H2,1-3H3
InChIKeyBAWXRSSNIHTCLF-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(5-bromo-2-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851346
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851317
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 143270061
2-(2,4-dimethylphenyl)-2-hydroxy-1-piperidin-1-ylethanone
CID 82130939
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-chloro-2-(3,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 55047866
2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
CID 116851326
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 116851315
(2S)-2-(4,5-dimethoxy-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 30377089

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone (CID 116851324) is 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(N)C(=O)N2CCCC2)cc1C.
What is the InChIKey of 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is BAWXRSSNIHTCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-8-12(3)13(9-11(10)2)14(16)15(18)17-6-4-5-7-17/h8-9,14H,4-7,16H2,1-3H3.
What are the key properties of 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone?
2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 116851324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).