2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile

C16H16N2O — CID 55018955

IUPAC2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile
SMILESCc1ccccc1C(CN)Oc1ccccc1C#N
InChIInChI=1S/C16H16N2O/c1-12-6-2-4-8-14(12)16(11-18)19-15-9-5-3-7-13(15)10-17/h2-9,16H,11,18H2,1H3
InChIKeyZTTNWNWBXXKQAZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.95
Rot. Bonds4

About 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile

2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile (PubChem CID 55018955) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile
PubChem CID55018955
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile
SMILESCc1ccccc1C(CN)Oc1ccccc1C#N
InChIInChI=1S/C16H16N2O/c1-12-6-2-4-8-14(12)16(11-18)19-15-9-5-3-7-13(15)10-17/h2-9,16H,11,18H2,1H3
InChIKeyZTTNWNWBXXKQAZ-UHFFFAOYSA-N
XLogP2.95
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile
CID 55018646
2-(2,3-dichlorophenoxy)-2-(2-methylphenyl)ethanamine
CID 55018621
3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine
CID 67124192
3-[2-amino-1-(2-methylphenyl)ethoxy]-5-methoxybenzonitrile
CID 103566569
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile
CID 43752912
ethane;propane;2-propan-2-yloxybenzonitrile
CID 145341858
2-(1-cyanoethoxy)benzonitrile
CID 60644293
methanamine;2-methylbenzonitrile
CID 144641248
2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
CID 112549824
2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine
CID 55019250
2-(1-bromobutoxy)benzonitrile
CID 143590080

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile (CID 55018955) is 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile is Cc1ccccc1C(CN)Oc1ccccc1C#N.
What is the InChIKey of 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile?
The InChIKey is ZTTNWNWBXXKQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-6-2-4-8-14(12)16(11-18)19-15-9-5-3-7-13(15)10-17/h2-9,16H,11,18H2,1H3.
What are the key properties of 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile?
2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile is sourced from PubChem (CID 55018955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).