ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate

C16H23NO2 — CID 91750699

IUPACethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCCCC1NC
InChIInChI=1S/C16H23NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-6,9-10,14,17H,3,7-8,11-12H2,1-2H3
InChIKeyWFQQWAVKOIPBTF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate

ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate (PubChem CID 91750699) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
PubChem CID91750699
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCCCC1NC
InChIInChI=1S/C16H23NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-6,9-10,14,17H,3,7-8,11-12H2,1-2H3
InChIKeyWFQQWAVKOIPBTF-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate 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

ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 70344670
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
ethyl (3S,4S)-1,3-dimethyl-4-phenylazepane-4-carboxylate
CID 76967995
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid
CID 175258328
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326
ethyl (1R,2S,4R)-2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 93483976
ethyl 1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401878
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 2-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 105401874
ethyl (1S,6R,8S)-8-phenyl-7-oxabicyclo[4.2.0]octane-8-carboxylate
CID 102068340

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate (CID 91750699) is ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate is CCOC(=O)C1(c2ccccc2)CCCCC1NC.
What is the InChIKey of ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate?
The InChIKey is WFQQWAVKOIPBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-6,9-10,14,17H,3,7-8,11-12H2,1-2H3.
What are the key properties of ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate?
ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 91750699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).