4-[1-(4-amino-3-pyridinyl)propylamino]phenol

C14H17N3O — CID 22164908

IUPAC4-[1-(4-amino-3-pyridinyl)propylamino]phenol
SMILESCCC(Nc1ccc(O)cc1)c1cnccc1N
InChIInChI=1S/C14H17N3O/c1-2-14(12-9-16-8-7-13(12)15)17-10-3-5-11(18)6-4-10/h3-9,14,17-18H,2H2,1H3,(H2,15,16)
InChIKeyWLSCPKNJDMNGLS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.93
Rot. Bonds4

About 4-[1-(4-amino-3-pyridinyl)propylamino]phenol

4-[1-(4-amino-3-pyridinyl)propylamino]phenol (PubChem CID 22164908) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[1-(4-amino-3-pyridinyl)propylamino]phenol.

Molecular Properties

Compound Name4-[1-(4-amino-3-pyridinyl)propylamino]phenol
PubChem CID22164908
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[1-(4-amino-3-pyridinyl)propylamino]phenol
SMILESCCC(Nc1ccc(O)cc1)c1cnccc1N
InChIInChI=1S/C14H17N3O/c1-2-14(12-9-16-8-7-13(12)15)17-10-3-5-11(18)6-4-10/h3-9,14,17-18H,2H2,1H3,(H2,15,16)
InChIKeyWLSCPKNJDMNGLS-UHFFFAOYSA-N
XLogP2.93
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(4-amino-3-pyridinyl)propylamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3-pyridinyl)propylamino]phenol?
The IUPAC name of 4-[1-(4-amino-3-pyridinyl)propylamino]phenol (CID 22164908) is 4-[1-(4-amino-3-pyridinyl)propylamino]phenol.
What is the SMILES notation for 4-[1-(4-amino-3-pyridinyl)propylamino]phenol?
The canonical SMILES for 4-[1-(4-amino-3-pyridinyl)propylamino]phenol is CCC(Nc1ccc(O)cc1)c1cnccc1N.
What is the InChIKey of 4-[1-(4-amino-3-pyridinyl)propylamino]phenol?
The InChIKey is WLSCPKNJDMNGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-14(12-9-16-8-7-13(12)15)17-10-3-5-11(18)6-4-10/h3-9,14,17-18H,2H2,1H3,(H2,15,16).
What are the key properties of 4-[1-(4-amino-3-pyridinyl)propylamino]phenol?
4-[1-(4-amino-3-pyridinyl)propylamino]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-pyridinyl)propylamino]phenol is sourced from PubChem (CID 22164908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).