4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile

C18H17ClN2O — CID 133353309

IUPAC4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCC1CCOC1c1ccccc1
InChIInChI=1S/C18H17ClN2O/c19-16-7-6-14(11-20)17(10-16)21-12-15-8-9-22-18(15)13-4-2-1-3-5-13/h1-7,10,15,18,21H,8-9,12H2
InChIKeyJMOQYUOWOHRCDS-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.40
Rot. Bonds4

About 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile

4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile (PubChem CID 133353309) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile
PubChem CID133353309
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCC1CCOC1c1ccccc1
InChIInChI=1S/C18H17ClN2O/c19-16-7-6-14(11-20)17(10-16)21-12-15-8-9-22-18(15)13-4-2-1-3-5-13/h1-7,10,15,18,21H,8-9,12H2
InChIKeyJMOQYUOWOHRCDS-UHFFFAOYSA-N
XLogP4.40
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]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

6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353488
2-(2-bicyclo[2.2.1]heptanylmethylamino)-4-chlorobenzonitrile
CID 63683527
2-(benzylamino)-4-chlorobenzonitrile
CID 43681577
4-chloro-2-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 103269778
4-chloro-2-[(4-methylcyclohexyl)methylamino]benzonitrile
CID 63511847
6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 133353479
4-chloro-2-[(1-ethylpiperidin-4-yl)methylamino]benzonitrile
CID 63082092
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353498
5-nitro-2-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carbonitrile
CID 129488556
2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
CID 133353384
4-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)benzonitrile
CID 79222333

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile?
The IUPAC name of 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile (CID 133353309) is 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile is N#Cc1ccc(Cl)cc1NCC1CCOC1c1ccccc1.
What is the InChIKey of 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile?
The InChIKey is JMOQYUOWOHRCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-16-7-6-14(11-20)17(10-16)21-12-15-8-9-22-18(15)13-4-2-1-3-5-13/h1-7,10,15,18,21H,8-9,12H2.
What are the key properties of 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile?
4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile has a molecular weight of 312.80 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile is sourced from PubChem (CID 133353309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).