2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile

C12H16N2O — CID 16794106

IUPAC2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile
SMILESCC(C)Oc1ccc(C(C)(N)C#N)cc1
InChIInChI=1S/C12H16N2O/c1-9(2)15-11-6-4-10(5-7-11)12(3,14)8-13/h4-7,9H,14H2,1-3H3
InChIKeyAJLPDFIHAXBMMQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile

2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile (PubChem CID 16794106) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile
PubChem CID16794106
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile
SMILESCC(C)Oc1ccc(C(C)(N)C#N)cc1
InChIInChI=1S/C12H16N2O/c1-9(2)15-11-6-4-10(5-7-11)12(3,14)8-13/h4-7,9H,14H2,1-3H3
InChIKeyAJLPDFIHAXBMMQ-UHFFFAOYSA-N
XLogP2.17
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methoxyphenyl)propanenitrile
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2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
4-methoxy-2-(4-propan-2-yloxyphenyl)butan-2-amine
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2,2-dimethyl-4-(4-propan-2-yloxyanilino)butanenitrile
CID 65249328
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
3-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]propanenitrile
CID 115231351
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
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CID 116934759

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile?
The IUPAC name of 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile (CID 16794106) is 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile.
What is the SMILES notation for 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile?
The canonical SMILES for 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile is CC(C)Oc1ccc(C(C)(N)C#N)cc1.
What is the InChIKey of 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile?
The InChIKey is AJLPDFIHAXBMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)15-11-6-4-10(5-7-11)12(3,14)8-13/h4-7,9H,14H2,1-3H3.
What are the key properties of 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile?
2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile has a molecular weight of 204.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile is sourced from PubChem (CID 16794106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).