4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol

C13H15N3O — CID 12993913

IUPAC4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol
SMILESNc1ccc(O)c(CCNc2cccnc2)c1
InChIInChI=1S/C13H15N3O/c14-11-3-4-13(17)10(8-11)5-7-16-12-2-1-6-15-9-12/h1-4,6,8-9,16-17H,5,7,14H2
InChIKeyHVISCYILWGAQLH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.02
Rot. Bonds4

About 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol

4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol (PubChem CID 12993913) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol
PubChem CID12993913
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol
SMILESNc1ccc(O)c(CCNc2cccnc2)c1
InChIInChI=1S/C13H15N3O/c14-11-3-4-13(17)10(8-11)5-7-16-12-2-1-6-15-9-12/h1-4,6,8-9,16-17H,5,7,14H2
InChIKeyHVISCYILWGAQLH-UHFFFAOYSA-N
XLogP2.02
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(pyridin-3-ylamino)methyl]benzene-1,4-diol
CID 82674879
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
4-amino-2-(2,2,2-trifluoroethyl)phenol
CID 142924300
ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide
CID 145197968
4-amino-2-[(3,4-dimethylanilino)methyl]phenol
CID 18533660
4-amino-2-[3-(cyclopropylamino)propyl]phenol
CID 84674547
bis(4-amino-2-(aminomethyl)phenol);dihydrochloride
CID 91620372
4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
CID 60874735
4-amino-2-(3-aminobutyl)phenol
CID 84657538
N-fluoropyridin-3-amine
CID 141274626
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol?
The IUPAC name of 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol (CID 12993913) is 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol.
What is the SMILES notation for 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol?
The canonical SMILES for 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol is Nc1ccc(O)c(CCNc2cccnc2)c1.
What is the InChIKey of 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol?
The InChIKey is HVISCYILWGAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-11-3-4-13(17)10(8-11)5-7-16-12-2-1-6-15-9-12/h1-4,6,8-9,16-17H,5,7,14H2.
What are the key properties of 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol?
4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(pyridin-3-ylamino)ethyl]phenol is sourced from PubChem (CID 12993913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).