2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone

C14H20N2O2 — CID 79670313

IUPAC2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1cccc(O)c1
InChIInChI=1S/C14H20N2O2/c1-15(10-12-5-4-6-13(17)9-12)11-14(18)16-7-2-3-8-16/h4-6,9,17H,2-3,7-8,10-11H2,1H3
InChIKeyUIQNSHNURXJDMP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds4

About 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone

2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 79670313) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID79670313
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1cccc(O)c1
InChIInChI=1S/C14H20N2O2/c1-15(10-12-5-4-6-13(17)9-12)11-14(18)16-7-2-3-8-16/h4-6,9,17H,2-3,7-8,10-11H2,1H3
InChIKeyUIQNSHNURXJDMP-UHFFFAOYSA-N
XLogP1.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-1-(azepan-1-yl)ethanone
CID 60922094
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
2-[(2-amino-4-pyridinyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62470329
4-[[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzoic acid
CID 60977939
2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone
CID 43458262
1-(azepan-1-yl)-2-[(4-bromophenyl)methyl-methylamino]ethanone
CID 78791393
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
4-[[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]methyl]benzoic acid
CID 54886018
2-fluoro-5-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzonitrile
CID 103758318
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (CID 79670313) is 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)Cc1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is UIQNSHNURXJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(10-12-5-4-6-13(17)9-12)11-14(18)16-7-2-3-8-16/h4-6,9,17H,2-3,7-8,10-11H2,1H3.
What are the key properties of 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 79670313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).