5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine

C13H23N3O — CID 80734963

IUPAC5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCCN(C)CC)c1
InChIInChI=1S/C13H23N3O/c1-4-16(3)7-6-15-12-8-11(14)9-13(10-12)17-5-2/h8-10,15H,4-7,14H2,1-3H3
InChIKeyOIPMLYSAKRIQLC-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds7

About 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine

5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine (PubChem CID 80734963) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine
PubChem CID80734963
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCCN(C)CC)c1
InChIInChI=1S/C13H23N3O/c1-4-16(3)7-6-15-12-8-11(14)9-13(10-12)17-5-2/h8-10,15H,4-7,14H2,1-3H3
InChIKeyOIPMLYSAKRIQLC-UHFFFAOYSA-N
XLogP2.03
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
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

3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
2-(3-amino-5-ethoxyanilino)-N,N-dimethylacetamide
CID 80723754
3-N-[2-[di(propan-2-yl)amino]ethyl]-5-propoxybenzene-1,3-diamine
CID 80726917
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
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
5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine
CID 106324907
5-ethoxy-3-N-(4-imidazol-1-ylbutyl)benzene-1,3-diamine
CID 80739747
5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582
5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80738968
3-N-[(2,4-difluorophenyl)methyl]-5-ethoxybenzene-1,3-diamine
CID 80739312

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine (CID 80734963) is 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine is CCOc1cc(N)cc(NCCN(C)CC)c1.
What is the InChIKey of 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine?
The InChIKey is OIPMLYSAKRIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-16(3)7-6-15-12-8-11(14)9-13(10-12)17-5-2/h8-10,15H,4-7,14H2,1-3H3.
What are the key properties of 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine?
5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine is sourced from PubChem (CID 80734963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).