2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C16H24N2O2 — CID 115591500

IUPAC2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCOc1ccccc1CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-9-5-4-8-14(15)12-17-13(2)16(19)18-10-6-7-11-18/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3
InChIKeyQQZASOSDSNZGFF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds6

About 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115591500) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115591500
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCOc1ccccc1CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-9-5-4-8-14(15)12-17-13(2)16(19)18-10-6-7-11-18/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3
InChIKeyQQZASOSDSNZGFF-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615270
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931889
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
2-[(2-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61068957
2-[(2,3-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115618240
2-[2-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 111469398
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
CID 115619137
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
2-[(3-chloro-2-fluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115664155
N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 115591500) is 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is CCOc1ccccc1CNC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QQZASOSDSNZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-9-5-4-8-14(15)12-17-13(2)16(19)18-10-6-7-11-18/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115591500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).