2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile

C14H19ClN2O2 — CID 62946990

IUPAC2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
SMILESCOCCN(c1ccc(C#N)c(Cl)c1)C(C)COC
InChIInChI=1S/C14H19ClN2O2/c1-11(10-19-3)17(6-7-18-2)13-5-4-12(9-16)14(15)8-13/h4-5,8,11H,6-7,10H2,1-3H3
InChIKeyBLPIDPVLIJPHLK-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.70
Rot. Bonds7

About 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile

2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile (PubChem CID 62946990) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
PubChem CID62946990
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
SMILESCOCCN(c1ccc(C#N)c(Cl)c1)C(C)COC
InChIInChI=1S/C14H19ClN2O2/c1-11(10-19-3)17(6-7-18-2)13-5-4-12(9-16)14(15)8-13/h4-5,8,11H,6-7,10H2,1-3H3
InChIKeyBLPIDPVLIJPHLK-UHFFFAOYSA-N
XLogP2.70
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
CID 55156482
2-bromo-4-[2-methoxyethyl(pentan-3-yl)amino]benzonitrile
CID 107276165
2-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]benzonitrile
CID 55152425
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82947935
2-chloro-4-[methyl(2-propan-2-yloxyethyl)amino]benzonitrile
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4-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzonitrile
CID 63092721
2-fluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 115367259
2-chloro-4-[2-ethoxyethyl(methyl)amino]benzonitrile
CID 81056253
2-chloro-4-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 55226542
3-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 102815884
4-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 107082045
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile?
The IUPAC name of 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile (CID 62946990) is 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile is COCCN(c1ccc(C#N)c(Cl)c1)C(C)COC.
What is the InChIKey of 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile?
The InChIKey is BLPIDPVLIJPHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-11(10-19-3)17(6-7-18-2)13-5-4-12(9-16)14(15)8-13/h4-5,8,11H,6-7,10H2,1-3H3.
What are the key properties of 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile?
2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile has a molecular weight of 282.77 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile is sourced from PubChem (CID 62946990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).