4-(2-ethoxy-N-methylanilino)cyclohexan-1-one

C15H21NO2 — CID 117029692

IUPAC4-(2-ethoxy-N-methylanilino)cyclohexan-1-one
SMILESCCOc1ccccc1N(C)C1CCC(=O)CC1
InChIInChI=1S/C15H21NO2/c1-3-18-15-7-5-4-6-14(15)16(2)12-8-10-13(17)11-9-12/h4-7,12H,3,8-11H2,1-2H3
InChIKeyCSMZTBMLEXOIDT-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.03
Rot. Bonds4

About 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one

4-(2-ethoxy-N-methylanilino)cyclohexan-1-one (PubChem CID 117029692) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-ethoxy-N-methylanilino)cyclohexan-1-one
PubChem CID117029692
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(2-ethoxy-N-methylanilino)cyclohexan-1-one
SMILESCCOc1ccccc1N(C)C1CCC(=O)CC1
InChIInChI=1S/C15H21NO2/c1-3-18-15-7-5-4-6-14(15)16(2)12-8-10-13(17)11-9-12/h4-7,12H,3,8-11H2,1-2H3
InChIKeyCSMZTBMLEXOIDT-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-ethoxyphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029195
N-cyclopropyl-N-methyl-2-(2-methylpropoxy)aniline
CID 174767735
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
4-(2,6-diethyl-N-methylanilino)cyclohexan-1-one
CID 117029675
2-ethoxy-N-ethyl-N-phenylaniline
CID 101288968
4-(3-chloro-N-methylanilino)cyclohexan-1-one
CID 117029680
4-(N,3,5-trimethylanilino)cyclohexan-1-one
CID 114762165
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
N,2-diethoxy-N-phenylaniline
CID 89287554
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one?
The IUPAC name of 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one (CID 117029692) is 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one.
What is the SMILES notation for 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one?
The canonical SMILES for 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one is CCOc1ccccc1N(C)C1CCC(=O)CC1.
What is the InChIKey of 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one?
The InChIKey is CSMZTBMLEXOIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-15-7-5-4-6-14(15)16(2)12-8-10-13(17)11-9-12/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one?
4-(2-ethoxy-N-methylanilino)cyclohexan-1-one has a molecular weight of 247.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-N-methylanilino)cyclohexan-1-one is sourced from PubChem (CID 117029692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).