2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile

C16H15ClN2O2 — CID 43760955

IUPAC2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile
SMILESCOc1ccc(Cl)cc1NCc1ccccc1OCC#N
InChIInChI=1S/C16H15ClN2O2/c1-20-16-7-6-13(17)10-14(16)19-11-12-4-2-3-5-15(12)21-9-8-18/h2-7,10,19H,9,11H2,1H3
InChIKeyGICNMLSBXMLZCD-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.86
Rot. Bonds6

About 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile

2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile (PubChem CID 43760955) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile
PubChem CID43760955
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile
SMILESCOc1ccc(Cl)cc1NCc1ccccc1OCC#N
InChIInChI=1S/C16H15ClN2O2/c1-20-16-7-6-13(17)10-14(16)19-11-12-4-2-3-5-15(12)21-9-8-18/h2-7,10,19H,9,11H2,1H3
InChIKeyGICNMLSBXMLZCD-UHFFFAOYSA-N
XLogP3.86
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile 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

2-[2-[(2-bromo-4-chloroanilino)methyl]phenoxy]acetonitrile
CID 81262587
2-[(5-chloro-2-methoxyanilino)methyl]benzonitrile
CID 28578246
2-[2-[(3-chloro-4-methoxyanilino)methyl]phenoxy]acetonitrile
CID 43758083
5-chloro-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39438809
2-[2-[(2-fluoro-4-methylanilino)methyl]phenoxy]acetonitrile
CID 43772247
3-[(5-chloro-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61319274
2-[2-[(3-chloro-4-methylanilino)methyl]phenoxy]acetonitrile
CID 43757359
2-[2-[(3,5-dimethylanilino)methyl]phenoxy]acetonitrile
CID 43763950
2-[2-[(3,5-dichloro-4-fluoroanilino)methyl]phenoxy]acetonitrile
CID 107572613
4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 61036659
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile (CID 43760955) is 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile is COc1ccc(Cl)cc1NCc1ccccc1OCC#N.
What is the InChIKey of 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile?
The InChIKey is GICNMLSBXMLZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-20-16-7-6-13(17)10-14(16)19-11-12-4-2-3-5-15(12)21-9-8-18/h2-7,10,19H,9,11H2,1H3.
What are the key properties of 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile?
2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile has a molecular weight of 302.76 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-2-methoxyanilino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 43760955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).