2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride

C10H13ClN2 — CID 175574482

IUPAC2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride
SMILESCc1cccc(C(C)N)c1C#N.Cl
InChIInChI=1S/C10H12N2.ClH/c1-7-4-3-5-9(8(2)12)10(7)6-11;/h3-5,8H,12H2,1-2H3;1H
InChIKeyWWLCJOXYFAANHW-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.31
Rot. Bonds1

About 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride

2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride (PubChem CID 175574482) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride.

Molecular Properties

Compound Name2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride
PubChem CID175574482
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride
SMILESCc1cccc(C(C)N)c1C#N.Cl
InChIInChI=1S/C10H12N2.ClH/c1-7-4-3-5-9(8(2)12)10(7)6-11;/h3-5,8H,12H2,1-2H3;1H
InChIKeyWWLCJOXYFAANHW-UHFFFAOYSA-N
XLogP2.31
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride?
The IUPAC name of 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride (CID 175574482) is 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride.
What is the SMILES notation for 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride?
The canonical SMILES for 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride is Cc1cccc(C(C)N)c1C#N.Cl.
What is the InChIKey of 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride?
The InChIKey is WWLCJOXYFAANHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.ClH/c1-7-4-3-5-9(8(2)12)10(7)6-11;/h3-5,8H,12H2,1-2H3;1H.
What are the key properties of 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride?
2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-6-methylbenzonitrile;hydrochloride is sourced from PubChem (CID 175574482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).