2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone

C15H22N2O2 — CID 116851315

IUPAC2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
SMILESCCc1cc(C(N)C(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C15H22N2O2/c1-3-11-10-12(6-7-13(11)19-2)14(16)15(18)17-8-4-5-9-17/h6-7,10,14H,3-5,8-9,16H2,1-2H3
InChIKeyFMCMLYWNFAPJAU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone

2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 116851315) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID116851315
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
SMILESCCc1cc(C(N)C(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C15H22N2O2/c1-3-11-10-12(6-7-13(11)19-2)14(16)15(18)17-8-4-5-9-17/h6-7,10,14H,3-5,8-9,16H2,1-2H3
InChIKeyFMCMLYWNFAPJAU-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851317
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943091
(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939767
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone
CID 116851302
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
(2S)-2-amino-2-[3-(cyanomethyl)-4-methoxyphenyl]acetic acid
CID 66512345
methyl 4-amino-4-(3-ethyl-4-methoxyphenyl)butanoate
CID 116940192
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone (CID 116851315) is 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone is CCc1cc(C(N)C(=O)N2CCCC2)ccc1OC.
What is the InChIKey of 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is FMCMLYWNFAPJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11-10-12(6-7-13(11)19-2)14(16)15(18)17-8-4-5-9-17/h6-7,10,14H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone?
2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 116851315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).