2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone

C14H19NO2 — CID 43796691

IUPAC2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone
SMILESCC(C1CC1)N(C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO2/c1-10(11-3-4-11)15(2)9-14(17)12-5-7-13(16)8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3
InChIKeyHTKXJYZBNQRFER-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.31
Rot. Bonds5

About 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone

2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone (PubChem CID 43796691) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone
PubChem CID43796691
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone
SMILESCC(C1CC1)N(C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO2/c1-10(11-3-4-11)15(2)9-14(17)12-5-7-13(16)8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3
InChIKeyHTKXJYZBNQRFER-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)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-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone (CID 43796691) is 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone is CC(C1CC1)N(C)CC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone?
The InChIKey is HTKXJYZBNQRFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(11-3-4-11)15(2)9-14(17)12-5-7-13(16)8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone?
2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 43796691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).