5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine

C14H22N2O2 — CID 80738968

IUPAC5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCCC2CCCO2)c1
InChIInChI=1S/C14H22N2O2/c1-2-17-14-9-11(15)8-12(10-14)16-6-5-13-4-3-7-18-13/h8-10,13,16H,2-7,15H2,1H3
InChIKeyUCQNLKJPYGUFRM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.65
Rot. Bonds6

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

5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine (PubChem CID 80738968) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
PubChem CID80738968
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCCC2CCCO2)c1
InChIInChI=1S/C14H22N2O2/c1-2-17-14-9-11(15)8-12(10-14)16-6-5-13-4-3-7-18-13/h8-10,13,16H,2-7,15H2,1H3
InChIKeyUCQNLKJPYGUFRM-UHFFFAOYSA-N
XLogP2.65
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.65
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
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
3,4,5-trimethoxy-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163543
5-methoxy-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 80739281
3-bromo-5-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975836
5-ethoxy-3-N-[(4-ethylcyclohexyl)methyl]benzene-1,3-diamine
CID 80738399
3-bromo-5-[2-(oxolan-2-yl)ethoxy]aniline
CID 103588138
5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine
CID 80734963
2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 55232740
4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181207
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963
3-bromo-5-methoxy-N-[3-(oxolan-2-yl)propyl]aniline
CID 82867375

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine (CID 80738968) is 5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine is CCOc1cc(N)cc(NCCC2CCCO2)c1.
What is the InChIKey of 5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine?
The InChIKey is UCQNLKJPYGUFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-17-14-9-11(15)8-12(10-14)16-6-5-13-4-3-7-18-13/h8-10,13,16H,2-7,15H2,1H3.
What are the key properties of 5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine?
5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine has a molecular weight of 250.34 g/mol, XLogP of 2.65, 6 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-(oxolan-2-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 80738968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).