3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine

C15H26N2O2 — CID 114940615

IUPAC3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCC(C)(C)OCC)c1
InChIInChI=1S/C15H26N2O2/c1-5-7-18-14-9-12(16)8-13(10-14)17-11-15(3,4)19-6-2/h8-10,17H,5-7,11,16H2,1-4H3
InChIKeyVCGPKDGXGOYAAG-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.28
Rot. Bonds8

About 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine

3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine (PubChem CID 114940615) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine
PubChem CID114940615
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCC(C)(C)OCC)c1
InChIInChI=1S/C15H26N2O2/c1-5-7-18-14-9-12(16)8-13(10-14)17-11-15(3,4)19-6-2/h8-10,17H,5-7,11,16H2,1-4H3
InChIKeyVCGPKDGXGOYAAG-UHFFFAOYSA-N
XLogP3.28
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.28
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

1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
CID 80735376
3-(3-amino-5-propoxyanilino)-2,2-dimethylpropanamide
CID 106275272
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
CID 80721832
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258
3-N-[(3-methylcyclopentyl)methyl]-5-propoxybenzene-1,3-diamine
CID 107411332
3-N-[2-[di(propan-2-yl)amino]ethyl]-5-propoxybenzene-1,3-diamine
CID 80726917
4-[(3-amino-5-propoxyanilino)methyl]benzonitrile
CID 80739311
3-N-(3-methylbutan-2-yl)-5-propoxybenzene-1,3-diamine
CID 80723697

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine (CID 114940615) is 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(NCC(C)(C)OCC)c1.
What is the InChIKey of 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The InChIKey is VCGPKDGXGOYAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-7-18-14-9-12(16)8-13(10-14)17-11-15(3,4)19-6-2/h8-10,17H,5-7,11,16H2,1-4H3.
What are the key properties of 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine?
3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 114940615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).