(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C13H18N2O2 — CID 113285249

IUPAC(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-14-9-11-5-3-7-15(11)13(17)10-4-2-6-12(16)8-10/h2,4,6,8,11,14,16H,3,5,7,9H2,1H3
InChIKeyIRGTXGGYZPPSQC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds3

About (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 113285249) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID113285249
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-14-9-11-5-3-7-15(11)13(17)10-4-2-6-12(16)8-10/h2,4,6,8,11,14,16H,3,5,7,9H2,1H3
InChIKeyIRGTXGGYZPPSQC-UHFFFAOYSA-N
XLogP1.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone 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

(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107704932
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 81484224
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide
CID 119650299
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 113285249) is (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCCN1C(=O)c1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IRGTXGGYZPPSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-9-11-5-3-7-15(11)13(17)10-4-2-6-12(16)8-10/h2,4,6,8,11,14,16H,3,5,7,9H2,1H3.
What are the key properties of (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113285249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).