3-amino-4-(propylamino)phenol

C9H14N2O — CID 166450854

IUPAC3-amino-4-(propylamino)phenol
SMILESCCCNc1ccc(O)cc1N
InChIInChI=1S/C9H14N2O/c1-2-5-11-9-4-3-7(12)6-8(9)10/h3-4,6,11-12H,2,5,10H2,1H3
InChIKeyVHMRNCCRXKPSBI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.80
Rot. Bonds3

About 3-amino-4-(propylamino)phenol

3-amino-4-(propylamino)phenol (PubChem CID 166450854) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-4-(propylamino)phenol.

Molecular Properties

Compound Name3-amino-4-(propylamino)phenol
PubChem CID166450854
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-4-(propylamino)phenol
SMILESCCCNc1ccc(O)cc1N
InChIInChI=1S/C9H14N2O/c1-2-5-11-9-4-3-7(12)6-8(9)10/h3-4,6,11-12H,2,5,10H2,1H3
InChIKeyVHMRNCCRXKPSBI-UHFFFAOYSA-N
XLogP1.80
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(propylamino)phenol?
The IUPAC name of 3-amino-4-(propylamino)phenol (CID 166450854) is 3-amino-4-(propylamino)phenol.
What is the SMILES notation for 3-amino-4-(propylamino)phenol?
The canonical SMILES for 3-amino-4-(propylamino)phenol is CCCNc1ccc(O)cc1N.
What is the InChIKey of 3-amino-4-(propylamino)phenol?
The InChIKey is VHMRNCCRXKPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-5-11-9-4-3-7(12)6-8(9)10/h3-4,6,11-12H,2,5,10H2,1H3.
What are the key properties of 3-amino-4-(propylamino)phenol?
3-amino-4-(propylamino)phenol has a molecular weight of 166.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(propylamino)phenol is sourced from PubChem (CID 166450854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).