4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile

C15H20N2O — CID 43569122

IUPAC4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
SMILESCC(C1CC1)N(C)CC(O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(13-7-8-13)17(2)10-15(18)14-5-3-12(9-16)4-6-14/h3-6,11,13,15,18H,7-8,10H2,1-2H3
InChIKeyPBSRXHZFAWLBJJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds5

About 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile

4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile (PubChem CID 43569122) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
PubChem CID43569122
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
SMILESCC(C1CC1)N(C)CC(O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(13-7-8-13)17(2)10-15(18)14-5-3-12(9-16)4-6-14/h3-6,11,13,15,18H,7-8,10H2,1-2H3
InChIKeyPBSRXHZFAWLBJJ-UHFFFAOYSA-N
XLogP2.32
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]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-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
4-[1-hydroxy-2-[methyl(2-methylbutyl)amino]ethyl]benzonitrile
CID 43295785
4-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]benzonitrile
CID 60961038
4-[2-(dicyclopropylmethylamino)-1-hydroxyethyl]benzonitrile
CID 61479682
4-[1-hydroxy-2-(N-methylanilino)ethyl]benzonitrile
CID 43288570
4-[2-[1-cyclopropylethyl(methyl)amino]ethylsulfonyl]benzonitrile
CID 79506980
(2S)-1-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 103934958
4-[1-hydroxy-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]benzonitrile
CID 79314734
4-[3-(dimethylamino)-1-hydroxypropyl]benzonitrile
CID 19025856
4-[2-[bis(cyanomethyl)amino]-1-hydroxyethyl]benzonitrile
CID 43288643
4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile (CID 43569122) is 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile is CC(C1CC1)N(C)CC(O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The InChIKey is PBSRXHZFAWLBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(13-7-8-13)17(2)10-15(18)14-5-3-12(9-16)4-6-14/h3-6,11,13,15,18H,7-8,10H2,1-2H3.
What are the key properties of 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 43569122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).