(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone

C14H20N2O2 — CID 103576058

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C14H20N2O2/c1-3-18-13-7-5-4-6-11(13)14(17)16-8-10(2)12(15)9-16/h4-7,10,12H,3,8-9,15H2,1-2H3
InChIKeyXTZXCHHLIOYNHL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds3

About (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 103576058) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID103576058
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C14H20N2O2/c1-3-18-13-7-5-4-6-11(13)14(17)16-8-10(2)12(15)9-16/h4-7,10,12H,3,8-9,15H2,1-2H3
InChIKeyXTZXCHHLIOYNHL-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
CID 103575825
(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
CID 131701893
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(3S,4S)-1-(2-ethoxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949156
(3S,4S)-1-[2-(2-ethoxyethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953153
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone (CID 103576058) is (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CC(C)C(N)C1.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is XTZXCHHLIOYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-13-7-5-4-6-11(13)14(17)16-8-10(2)12(15)9-16/h4-7,10,12H,3,8-9,15H2,1-2H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 103576058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).