4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride

C10H13ClN2O — CID 146277545

IUPAC4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
SMILESCNCCOc1ccc(C#N)cc1.Cl
InChIInChI=1S/C10H12N2O.ClH/c1-12-6-7-13-10-4-2-9(8-11)3-5-10;/h2-5,12H,6-7H2,1H3;1H
InChIKeySBRJTYAYJCXYMY-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.58
Rot. Bonds4

About 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride

4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride (PubChem CID 146277545) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
PubChem CID146277545
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
SMILESCNCCOc1ccc(C#N)cc1.Cl
InChIInChI=1S/C10H12N2O.ClH/c1-12-6-7-13-10-4-2-9(8-11)3-5-10;/h2-5,12H,6-7H2,1H3;1H
InChIKeySBRJTYAYJCXYMY-UHFFFAOYSA-N
XLogP1.58
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
4-[2-(2-aminoethylamino)ethoxy]benzonitrile
CID 69276381
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
4-(2-anilinoethoxy)benzonitrile
CID 134030846
3-bromo-4-[2-(methylamino)ethoxy]benzonitrile
CID 82801378
4-[2-(methylamino)ethyl]benzonitrile;hydrochloride
CID 134690729
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873
3-methoxy-5-[3-(methylamino)propoxy]benzonitrile
CID 103568078
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
4-(2-chloroethoxy)benzonitrile
CID 12503864
4-decoxybenzonitrile
CID 19021371
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride?
The IUPAC name of 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride (CID 146277545) is 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride?
The canonical SMILES for 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride is CNCCOc1ccc(C#N)cc1.Cl.
What is the InChIKey of 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride?
The InChIKey is SBRJTYAYJCXYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c1-12-6-7-13-10-4-2-9(8-11)3-5-10;/h2-5,12H,6-7H2,1H3;1H.
What are the key properties of 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride?
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride is sourced from PubChem (CID 146277545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).