2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone

C16H23NO2 — CID 62029955

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(CCO)C2CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-11-8-13(3)15(9-12(11)2)16(19)10-17(6-7-18)14-4-5-14/h8-9,14,18H,4-7,10H2,1-3H3
InChIKeyJCDJRUABRVATGU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.25
Rot. Bonds6

About 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone

2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 62029955) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID62029955
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(CCO)C2CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-11-8-13(3)15(9-12(11)2)16(19)10-17(6-7-18)14-4-5-14/h8-9,14,18H,4-7,10H2,1-3H3
InChIKeyJCDJRUABRVATGU-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone (CID 62029955) is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN(CCO)C2CC2)cc1C.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is JCDJRUABRVATGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-13(3)15(9-12(11)2)16(19)10-17(6-7-18)14-4-5-14/h8-9,14,18H,4-7,10H2,1-3H3.
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 62029955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).