2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile

C10H11ClN2O — CID 62944238

IUPAC2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile
SMILESCN(CCO)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H11ClN2O/c1-13(4-5-14)9-3-2-8(7-12)10(11)6-9/h2-3,6,14H,4-5H2,1H3
InChIKeyXJTYDOCBHBMIFA-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.64
Rot. Bonds3

About 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile

2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile (PubChem CID 62944238) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile
PubChem CID62944238
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile
SMILESCN(CCO)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H11ClN2O/c1-13(4-5-14)9-3-2-8(7-12)10(11)6-9/h2-3,6,14H,4-5H2,1H3
InChIKeyXJTYDOCBHBMIFA-UHFFFAOYSA-N
XLogP1.64
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[2-ethoxyethyl(methyl)amino]benzonitrile
CID 81056253
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2-chloro-4-[methyl(2-propan-2-yloxyethyl)amino]benzonitrile
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2-chloro-4-[2-cyanopropyl(methyl)amino]benzonitrile
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2-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]benzonitrile
CID 55152425
2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile
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4-[2-hydroxyethyl(methyl)amino]benzonitrile
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2-chloro-4-[3-imidazol-1-ylpropyl(methyl)amino]benzonitrile
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4-[(4-bromothiophen-2-yl)methyl-methylamino]-2-chlorobenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile?
The IUPAC name of 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile (CID 62944238) is 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile is CN(CCO)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile?
The InChIKey is XJTYDOCBHBMIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13(4-5-14)9-3-2-8(7-12)10(11)6-9/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile?
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile has a molecular weight of 210.66 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile is sourced from PubChem (CID 62944238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).