2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile

C12H15ClN2O2 — CID 112610606

IUPAC2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
SMILESCOCCNCc1cccc(Cl)c1OCC#N
InChIInChI=1S/C12H15ClN2O2/c1-16-8-6-15-9-10-3-2-4-11(13)12(10)17-7-5-14/h2-4,15H,6-9H2,1H3
InChIKeyYUYRKMTYYNKBTM-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.98
Rot. Bonds7

About 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile

2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile (PubChem CID 112610606) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
PubChem CID112610606
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
SMILESCOCCNCc1cccc(Cl)c1OCC#N
InChIInChI=1S/C12H15ClN2O2/c1-16-8-6-15-9-10-3-2-4-11(13)12(10)17-7-5-14/h2-4,15H,6-9H2,1H3
InChIKeyYUYRKMTYYNKBTM-UHFFFAOYSA-N
XLogP1.98
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-chloro-6-[(2-methoxyethylamino)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

N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 112610592
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954964
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
4-[2-chloro-6-(propylaminomethyl)phenoxy]butanenitrile
CID 112609440
N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954879
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954891
2-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63058112
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
CID 115954979

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile (CID 112610606) is 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile is COCCNCc1cccc(Cl)c1OCC#N.
What is the InChIKey of 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile?
The InChIKey is YUYRKMTYYNKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-16-8-6-15-9-10-3-2-4-11(13)12(10)17-7-5-14/h2-4,15H,6-9H2,1H3.
What are the key properties of 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile?
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile has a molecular weight of 254.72 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 112610606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).