2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile

C15H21N3O — CID 102624116

IUPAC2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
SMILESN#CCc1cc(N(CCO)C2CCCC2)ccc1N
InChIInChI=1S/C15H21N3O/c16-8-7-12-11-14(5-6-15(12)17)18(9-10-19)13-3-1-2-4-13/h5-6,11,13,19H,1-4,7,9-10,17H2
InChIKeyHQYOLYICKRLHGA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.08
Rot. Bonds5

About 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile

2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile (PubChem CID 102624116) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
PubChem CID102624116
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
SMILESN#CCc1cc(N(CCO)C2CCCC2)ccc1N
InChIInChI=1S/C15H21N3O/c16-8-7-12-11-14(5-6-15(12)17)18(9-10-19)13-3-1-2-4-13/h5-6,11,13,19H,1-4,7,9-10,17H2
InChIKeyHQYOLYICKRLHGA-UHFFFAOYSA-N
XLogP2.08
TPSA73.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
2-[2-amino-5-[cycloheptyl(methyl)amino]phenyl]acetonitrile
CID 102623938
2-[2-amino-5-[benzyl(cyclopropyl)amino]phenyl]acetonitrile
CID 102623913
2-[2-amino-5-[methyl-(2-methylcyclohexyl)amino]phenyl]acetonitrile
CID 102624125
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
CID 63676661
2-[4-(aminomethyl)-N-cyclopentyl-3-fluoroanilino]ethanol
CID 113295415
2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
CID 62945689
2-[3-bromo-N-cyclopentyl-4-(hydroxymethyl)anilino]ethanol
CID 114060297
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile (CID 102624116) is 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile is N#CCc1cc(N(CCO)C2CCCC2)ccc1N.
What is the InChIKey of 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile?
The InChIKey is HQYOLYICKRLHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-8-7-12-11-14(5-6-15(12)17)18(9-10-19)13-3-1-2-4-13/h5-6,11,13,19H,1-4,7,9-10,17H2.
What are the key properties of 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile?
2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 102624116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).