5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile

C15H15N3O — CID 61297301

IUPAC5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
SMILESN#Cc1cc(N)ccc1NCCc1ccc(O)cc1
InChIInChI=1S/C15H15N3O/c16-10-12-9-13(17)3-6-15(12)18-8-7-11-1-4-14(19)5-2-11/h1-6,9,18-19H,7-8,17H2
InChIKeyRJDQNIKOLHACAZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.50
Rot. Bonds4

About 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile

5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile (PubChem CID 61297301) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
PubChem CID61297301
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
SMILESN#Cc1cc(N)ccc1NCCc1ccc(O)cc1
InChIInChI=1S/C15H15N3O/c16-10-12-9-13(17)3-6-15(12)18-8-7-11-1-4-14(19)5-2-11/h1-6,9,18-19H,7-8,17H2
InChIKeyRJDQNIKOLHACAZ-UHFFFAOYSA-N
XLogP2.50
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-hydroxyethylamino)benzonitrile
CID 15827829
4-amino-3-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
CID 104711613
5-amino-2-[2-(3-methoxyphenyl)ethylamino]benzonitrile
CID 107845117
5-amino-2-(2-methylsulfanylethylamino)benzonitrile
CID 63983327
5-amino-2-(4-hydroxypentylamino)benzonitrile
CID 106119805
methyl 3-(4-amino-2-cyanoanilino)propanoate
CID 61295014
5-amino-2-(2,2-dimethylpropylamino)benzonitrile
CID 61296921
5-amino-2-(2,2,2-trifluoroethylamino)benzonitrile
CID 61295779
5-amino-2-(thiophen-3-ylmethylamino)benzonitrile
CID 63248166
5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204
5-fluoro-2-(2-phenylethylamino)benzonitrile
CID 63672929
5-amino-2-(2-phenoxyethylamino)benzonitrile
CID 55013137

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile?
The IUPAC name of 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile (CID 61297301) is 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile?
The canonical SMILES for 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile is N#Cc1cc(N)ccc1NCCc1ccc(O)cc1.
What is the InChIKey of 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile?
The InChIKey is RJDQNIKOLHACAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-10-12-9-13(17)3-6-15(12)18-8-7-11-1-4-14(19)5-2-11/h1-6,9,18-19H,7-8,17H2.
What are the key properties of 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile?
5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(4-hydroxyphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 61297301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).