4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile

C14H18N2O — CID 113463797

IUPAC4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile
SMILESCC1CC1CNCC(O)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-10-6-13(10)8-16-9-14(17)12-4-2-11(7-15)3-5-12/h2-5,10,13-14,16-17H,6,8-9H2,1H3
InChIKeyONWKVCFITFJCGB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.84
Rot. Bonds5

About 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile

4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile (PubChem CID 113463797) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile
PubChem CID113463797
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile
SMILESCC1CC1CNCC(O)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-10-6-13(10)8-16-9-14(17)12-4-2-11(7-15)3-5-12/h2-5,10,13-14,16-17H,6,8-9H2,1H3
InChIKeyONWKVCFITFJCGB-UHFFFAOYSA-N
XLogP1.84
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[(1,1-dioxothiolan-3-yl)methylamino]-1-hydroxyethyl]benzonitrile
CID 61058405
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115584359
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
4-[1-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzonitrile
CID 106100983
4-[2-(dicyclopropylmethylamino)-1-hydroxyethyl]benzonitrile
CID 61479682
4-[2-(3-cyclopentylpropylamino)-1-hydroxyethyl]benzonitrile
CID 103773117
4-[1-hydroxy-2-[(2-methyloxolan-3-yl)amino]ethyl]benzonitrile
CID 82726281
4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile
CID 64974232
4-[1-hydroxy-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethyl]benzonitrile
CID 62551133
4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile
CID 61366179
4-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-hydroxyethyl]benzonitrile
CID 106176188
4-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355702

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile (CID 113463797) is 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile is CC1CC1CNCC(O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile?
The InChIKey is ONWKVCFITFJCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-6-13(10)8-16-9-14(17)12-4-2-11(7-15)3-5-12/h2-5,10,13-14,16-17H,6,8-9H2,1H3.
What are the key properties of 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile?
4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile is sourced from PubChem (CID 113463797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).