3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine

C13H22N2O2 — CID 80721832

IUPAC3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCCCOC)c1
InChIInChI=1S/C13H22N2O2/c1-3-6-17-13-9-11(14)8-12(10-13)15-5-4-7-16-2/h8-10,15H,3-7,14H2,1-2H3
InChIKeyVXYJPDMVSRKWGZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.51
Rot. Bonds8

About 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine

3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine (PubChem CID 80721832) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
PubChem CID80721832
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCCCOC)c1
InChIInChI=1S/C13H22N2O2/c1-3-6-17-13-9-11(14)8-12(10-13)15-5-4-7-16-2/h8-10,15H,3-7,14H2,1-2H3
InChIKeyVXYJPDMVSRKWGZ-UHFFFAOYSA-N
XLogP2.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-amino-5-propoxyanilino)pentan-2-ol
CID 106119873
5-propoxy-3-N-(3,3,3-trifluoropropyl)benzene-1,3-diamine
CID 80734994
3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
5-fluoro-3-N-(3-methoxypropyl)benzene-1,3-diamine
CID 60874799
3-N-[2-[di(propan-2-yl)amino]ethyl]-5-propoxybenzene-1,3-diamine
CID 80726917
1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
CID 80735376
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
5-propoxy-3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142729
5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 80734248
3-N-(2-ethoxy-2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 114940615
3-N-[(3,4-difluorophenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80738657

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine (CID 80721832) is 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(NCCCOC)c1.
What is the InChIKey of 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine?
The InChIKey is VXYJPDMVSRKWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-6-17-13-9-11(14)8-12(10-13)15-5-4-7-16-2/h8-10,15H,3-7,14H2,1-2H3.
What are the key properties of 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine?
3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxypropyl)-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 80721832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).