2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone

C15H22N2O2 — CID 116851317

IUPAC2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone
SMILESCCOc1ccc(C(N)C(=O)N2CCCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-3-19-13-7-6-12(10-11(13)2)14(16)15(18)17-8-4-5-9-17/h6-7,10,14H,3-5,8-9,16H2,1-2H3
InChIKeyAXVAMQXEYXDSDQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone

2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 116851317) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID116851317
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone
SMILESCCOc1ccc(C(N)C(=O)N2CCCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-3-19-13-7-6-12(10-11(13)2)14(16)15(18)17-8-4-5-9-17/h6-7,10,14H,3-5,8-9,16H2,1-2H3
InChIKeyAXVAMQXEYXDSDQ-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 116851315
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
2-amino-2-(5-bromo-2-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851346
2-amino-1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 116851324
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
2-[amino-(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanoic acid
CID 116945196
4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938298

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone (CID 116851317) is 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone is CCOc1ccc(C(N)C(=O)N2CCCC2)cc1C.
What is the InChIKey of 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is AXVAMQXEYXDSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-13-7-6-12(10-11(13)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-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone?
2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 116851317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).