5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine

C16H26N2O — CID 80745810

IUPAC5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC2CCCCC2CC)c1
InChIInChI=1S/C16H26N2O/c1-3-12-7-5-6-8-16(12)18-14-9-13(17)10-15(11-14)19-4-2/h9-12,16,18H,3-8,17H2,1-2H3
InChIKeyPESBZTITNDGYIS-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.05
Rot. Bonds5

About 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine

5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine (PubChem CID 80745810) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine
PubChem CID80745810
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC2CCCCC2CC)c1
InChIInChI=1S/C16H26N2O/c1-3-12-7-5-6-8-16(12)18-14-9-13(17)10-15(11-14)19-4-2/h9-12,16,18H,3-8,17H2,1-2H3
InChIKeyPESBZTITNDGYIS-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine 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

5-ethoxy-3-N-(2-methylcyclopropyl)benzene-1,3-diamine
CID 80739437
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline
CID 82857766
N-[2-(aminomethyl)cyclohexyl]-3-ethoxy-5-nitroaniline
CID 80744511
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
CID 80738185
3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
CID 80735235
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
CID 80725311
5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine
CID 114118750
5-ethoxy-3-N-[(4-ethylcyclohexyl)methyl]benzene-1,3-diamine
CID 80738399
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine (CID 80745810) is 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine is CCOc1cc(N)cc(NC2CCCCC2CC)c1.
What is the InChIKey of 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine?
The InChIKey is PESBZTITNDGYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-12-7-5-6-8-16(12)18-14-9-13(17)10-15(11-14)19-4-2/h9-12,16,18H,3-8,17H2,1-2H3.
What are the key properties of 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine?
5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine is sourced from PubChem (CID 80745810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).