2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride

C13H19ClN2O2 — CID 69109327

IUPAC2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride
SMILESCCOc1cc(C(N)C#N)ccc1OC(C)C.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-4-16-13-7-10(11(15)8-14)5-6-12(13)17-9(2)3;/h5-7,9,11H,4,15H2,1-3H3;1H
InChIKeyMHOXBHIEVFOZMX-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.82
Rot. Bonds5

About 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride

2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride (PubChem CID 69109327) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride
PubChem CID69109327
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride
SMILESCCOc1cc(C(N)C#N)ccc1OC(C)C.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-4-16-13-7-10(11(15)8-14)5-6-12(13)17-9(2)3;/h5-7,9,11H,4,15H2,1-3H3;1H
InChIKeyMHOXBHIEVFOZMX-UHFFFAOYSA-N
XLogP2.82
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride?
The IUPAC name of 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride (CID 69109327) is 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride?
The canonical SMILES for 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride is CCOc1cc(C(N)C#N)ccc1OC(C)C.Cl.
What is the InChIKey of 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride?
The InChIKey is MHOXBHIEVFOZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-4-16-13-7-10(11(15)8-14)5-6-12(13)17-9(2)3;/h5-7,9,11H,4,15H2,1-3H3;1H.
What are the key properties of 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride?
2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile;hydrochloride is sourced from PubChem (CID 69109327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).