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

C16H28N2O2 — CID 80739720

IUPAC3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(CCOC)CC(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-5-7-20-16-10-14(17)9-15(11-16)18(6-8-19-4)12-13(2)3/h9-11,13H,5-8,12,17H2,1-4H3
InChIKeyIFFWXLQJLJICIG-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.17
Rot. Bonds9

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

3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine (PubChem CID 80739720) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
PubChem CID80739720
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(CCOC)CC(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-5-7-20-16-10-14(17)9-15(11-16)18(6-8-19-4)12-13(2)3/h9-11,13H,5-8,12,17H2,1-4H3
InChIKeyIFFWXLQJLJICIG-UHFFFAOYSA-N
XLogP3.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-bis(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80730638
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80722610
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 102991192
3-N-butan-2-yl-3-N-butyl-5-propoxybenzene-1,3-diamine
CID 80738961
3-[3-amino-5-ethoxy-N-(2-methoxyethyl)anilino]propanenitrile
CID 80734657
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
3-N-(3,3-dimethylbutan-2-yl)-3-N-methyl-5-propoxybenzene-1,3-diamine
CID 80739495
2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
CID 80739279
2-(3-amino-N-butyl-5-propoxyanilino)acetamide
CID 80739849
2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478314

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine (CID 80739720) is 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(N(CCOC)CC(C)C)c1.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The InChIKey is IFFWXLQJLJICIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-7-20-16-10-14(17)9-15(11-16)18(6-8-19-4)12-13(2)3/h9-11,13H,5-8,12,17H2,1-4H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine?
3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine has a molecular weight of 280.41 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 80739720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).