[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone

C16H23NO2 — CID 82553649

IUPAC[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone
SMILESCc1cc(OCC(C)C)ccc1C(=O)C1CCCN1
InChIInChI=1S/C16H23NO2/c1-11(2)10-19-13-6-7-14(12(3)9-13)16(18)15-5-4-8-17-15/h6-7,9,11,15,17H,4-5,8,10H2,1-3H3
InChIKeyWYNWASBBUXIIHM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.96
Rot. Bonds5

About [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone

[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone (PubChem CID 82553649) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone
PubChem CID82553649
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone
SMILESCc1cc(OCC(C)C)ccc1C(=O)C1CCCN1
InChIInChI=1S/C16H23NO2/c1-11(2)10-19-13-6-7-14(12(3)9-13)16(18)15-5-4-8-17-15/h6-7,9,11,15,17H,4-5,8,10H2,1-3H3
InChIKeyWYNWASBBUXIIHM-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone 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-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552016
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560
[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone
CID 82551740
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
2-(3,4-dimethylphenoxy)ethyl (2S)-piperidine-2-carboxylate
CID 122595161
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone (CID 82553649) is [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone is Cc1cc(OCC(C)C)ccc1C(=O)C1CCCN1.
What is the InChIKey of [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone?
The InChIKey is WYNWASBBUXIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)10-19-13-6-7-14(12(3)9-13)16(18)15-5-4-8-17-15/h6-7,9,11,15,17H,4-5,8,10H2,1-3H3.
What are the key properties of [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone?
[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone has a molecular weight of 261.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82553649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).