5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine

C13H20N2O2 — CID 114118750

IUPAC5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC2CC(OC)C2)c1
InChIInChI=1S/C13H20N2O2/c1-3-17-13-5-9(14)4-10(8-13)15-11-6-12(7-11)16-2/h4-5,8,11-12,15H,3,6-7,14H2,1-2H3
InChIKeyNYKJRDKMLFJFHS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.26
Rot. Bonds5

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

5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine (PubChem CID 114118750) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine
PubChem CID114118750
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC2CC(OC)C2)c1
InChIInChI=1S/C13H20N2O2/c1-3-17-13-5-9(14)4-10(8-13)15-11-6-12(7-11)16-2/h4-5,8,11-12,15H,3,6-7,14H2,1-2H3
InChIKeyNYKJRDKMLFJFHS-UHFFFAOYSA-N
XLogP2.26
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-3-N-(2-methylcyclopropyl)benzene-1,3-diamine
CID 80739437
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
CID 80725311
3-N-(4-ethylcyclohexyl)-5-methoxybenzene-1,3-diamine
CID 80745621
5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine
CID 80745810
3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
CID 80738185
3-N-(1,1-dioxothian-4-yl)-5-propoxybenzene-1,3-diamine
CID 80730541
3,5-diethoxyaniline
CID 22605063
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
5-ethoxy-3-N-[(4-ethylcyclohexyl)methyl]benzene-1,3-diamine
CID 80738399
3-(3,4-dimethylcyclohexyl)oxy-5-ethoxyaniline
CID 80748644
3,4,5-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821480
3-ethoxy-5-methylaniline
CID 67863452

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine (CID 114118750) is 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine is CCOc1cc(N)cc(NC2CC(OC)C2)c1.
What is the InChIKey of 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine?
The InChIKey is NYKJRDKMLFJFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-13-5-9(14)4-10(8-13)15-11-6-12(7-11)16-2/h4-5,8,11-12,15H,3,6-7,14H2,1-2H3.
What are the key properties of 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine?
5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine has a molecular weight of 236.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine is sourced from PubChem (CID 114118750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).