3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine

C14H24N2O2 — CID 104758765

IUPAC3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCCOC(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-4-6-18-14-9-12(15)8-13(10-14)16-5-7-17-11(2)3/h8-11,16H,4-7,15H2,1-3H3
InChIKeyVWQJAGYLWFYBLI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.89
Rot. Bonds8

About 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine

3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine (PubChem CID 104758765) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
PubChem CID104758765
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NCCOC(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-4-6-18-14-9-12(15)8-13(10-14)16-5-7-17-11(2)3/h8-11,16H,4-7,15H2,1-3H3
InChIKeyVWQJAGYLWFYBLI-UHFFFAOYSA-N
XLogP2.89
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.89
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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine (CID 104758765) is 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(NCCOC(C)C)c1.
What is the InChIKey of 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine?
The InChIKey is VWQJAGYLWFYBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-6-18-14-9-12(15)8-13(10-14)16-5-7-17-11(2)3/h8-11,16H,4-7,15H2,1-3H3.
What are the key properties of 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine?
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 104758765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).