(4-ethylcyclohexyl) 3-amino-4-methylbenzoate

C16H23NO2 — CID 64773835

IUPAC(4-ethylcyclohexyl) 3-amino-4-methylbenzoate
SMILESCCC1CCC(OC(=O)c2ccc(C)c(N)c2)CC1
InChIInChI=1S/C16H23NO2/c1-3-12-5-8-14(9-6-12)19-16(18)13-7-4-11(2)15(17)10-13/h4,7,10,12,14H,3,5-6,8-9,17H2,1-2H3
InChIKeyMAHZSTRQSURGRN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.70
Rot. Bonds3

About (4-ethylcyclohexyl) 3-amino-4-methylbenzoate

(4-ethylcyclohexyl) 3-amino-4-methylbenzoate (PubChem CID 64773835) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-ethylcyclohexyl) 3-amino-4-methylbenzoate.

Molecular Properties

Compound Name(4-ethylcyclohexyl) 3-amino-4-methylbenzoate
PubChem CID64773835
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4-ethylcyclohexyl) 3-amino-4-methylbenzoate
SMILESCCC1CCC(OC(=O)c2ccc(C)c(N)c2)CC1
InChIInChI=1S/C16H23NO2/c1-3-12-5-8-14(9-6-12)19-16(18)13-7-4-11(2)15(17)10-13/h4,7,10,12,14H,3,5-6,8-9,17H2,1-2H3
InChIKeyMAHZSTRQSURGRN-UHFFFAOYSA-N
XLogP3.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-ethylcyclohexyl) 3-amino-4-methylbenzoate 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

cyclopentyl 3-amino-4-methylbenzoate
CID 61278814
(4-ethylcyclohexyl) 4-amino-3-fluorobenzoate
CID 64776901
(4-ethylcyclohexyl) 2-amino-5-chlorobenzoate
CID 64774861
(4-methylcyclohexyl) 4-amino-3-methylbenzoate
CID 61277831
(4-ethylcyclohexyl) 3-amino-2-methylbenzoate
CID 64774862
bis(4-aminocyclohexyl) benzene-1,4-dicarboxylate;propane
CID 70377044
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 61488844
methyl 3-amino-4-[(4-ethylcyclohexyl)amino]benzoate
CID 61468296
bis(4-aminocyclohexyl) benzene-1,3-dicarboxylate;propane
CID 67914272
(4-methylcyclohexyl) 3-amino-4-fluorobenzoate
CID 61276815
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl) 3-amino-4-methylbenzoate?
The IUPAC name of (4-ethylcyclohexyl) 3-amino-4-methylbenzoate (CID 64773835) is (4-ethylcyclohexyl) 3-amino-4-methylbenzoate.
What is the SMILES notation for (4-ethylcyclohexyl) 3-amino-4-methylbenzoate?
The canonical SMILES for (4-ethylcyclohexyl) 3-amino-4-methylbenzoate is CCC1CCC(OC(=O)c2ccc(C)c(N)c2)CC1.
What is the InChIKey of (4-ethylcyclohexyl) 3-amino-4-methylbenzoate?
The InChIKey is MAHZSTRQSURGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-12-5-8-14(9-6-12)19-16(18)13-7-4-11(2)15(17)10-13/h4,7,10,12,14H,3,5-6,8-9,17H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl) 3-amino-4-methylbenzoate?
(4-ethylcyclohexyl) 3-amino-4-methylbenzoate has a molecular weight of 261.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl) 3-amino-4-methylbenzoate is sourced from PubChem (CID 64773835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).