4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile

C14H18N2O — CID 61435563

IUPAC4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
SMILESCCN(CC1CCCO1)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-2-16(11-14-4-3-9-17-14)13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9,11H2,1H3
InChIKeyROBQZWHBAWRSFA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.56
Rot. Bonds4

About 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile

4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile (PubChem CID 61435563) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
PubChem CID61435563
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
SMILESCCN(CC1CCCO1)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-2-16(11-14-4-3-9-17-14)13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9,11H2,1H3
InChIKeyROBQZWHBAWRSFA-UHFFFAOYSA-N
XLogP2.56
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(oxolan-2-ylmethyl)amino]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

N-ethyl-4-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133274078
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
CID 65161052
4-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817545
2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 61344785
4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152
1-N-ethyl-3-N-fluoro-4-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 57108655
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060813
N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide
CID 99858240
4-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbenzenecarbothioamide
CID 81276787
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
3-(4-cyanophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 25348927

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile?
The IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile (CID 61435563) is 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile?
The canonical SMILES for 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile is CCN(CC1CCCO1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile?
The InChIKey is ROBQZWHBAWRSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-16(11-14-4-3-9-17-14)13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9,11H2,1H3.
What are the key properties of 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile?
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 61435563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).