2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone

C14H20N2O2 — CID 28570278

IUPAC2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccccc1CNCC(=O)N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-18-13-7-3-2-6-12(13)10-15-11-14(17)16-8-4-5-9-16/h2-3,6-7,15H,4-5,8-11H2,1H3
InChIKeyWWNLVBJFLQYKJN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds5

About 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone

2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 28570278) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID28570278
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccccc1CNCC(=O)N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-18-13-7-3-2-6-12(13)10-15-11-14(17)16-8-4-5-9-16/h2-3,6-7,15H,4-5,8-11H2,1H3
InChIKeyWWNLVBJFLQYKJN-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329
1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
2-amino-4-[(2-methoxyphenyl)methylamino]-1-piperidin-1-ylbutan-1-one
CID 85416870
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 52810254
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
2-[(2-methoxyphenyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60688505
2-[2-[[2-(2-methoxy-5-methylphenyl)ethylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119109358
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone (CID 28570278) is 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone is COc1ccccc1CNCC(=O)N1CCCC1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is WWNLVBJFLQYKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-7-3-2-6-12(13)10-15-11-14(17)16-8-4-5-9-16/h2-3,6-7,15H,4-5,8-11H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone?
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 28570278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).