2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile

C14H20N2O — CID 55079162

IUPAC2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile
SMILESCCCOc1ccc(C(C#N)NC(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-4-9-17-13-7-5-12(6-8-13)14(10-15)16-11(2)3/h5-8,11,14,16H,4,9H2,1-3H3
InChIKeyWGJGDALNZAHYJX-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.04
Rot. Bonds6

About 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile

2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile (PubChem CID 55079162) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile
PubChem CID55079162
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile
SMILESCCCOc1ccc(C(C#N)NC(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-4-9-17-13-7-5-12(6-8-13)14(10-15)16-11(2)3/h5-8,11,14,16H,4,9H2,1-3H3
InChIKeyWGJGDALNZAHYJX-UHFFFAOYSA-N
XLogP3.04
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile
CID 62496121
2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile
CID 84816623
4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028231
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
2-isocyanato-2-(4-propoxyphenyl)acetonitrile
CID 82884341
2-(butylamino)-2-(4-ethoxyphenyl)acetonitrile
CID 82019956
2-(3H-benzimidazol-5-ylamino)-2-(4-propoxyphenyl)acetonitrile
CID 71085650
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile?
The IUPAC name of 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile (CID 55079162) is 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile?
The canonical SMILES for 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile is CCCOc1ccc(C(C#N)NC(C)C)cc1.
What is the InChIKey of 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile?
The InChIKey is WGJGDALNZAHYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-9-17-13-7-5-12(6-8-13)14(10-15)16-11(2)3/h5-8,11,14,16H,4,9H2,1-3H3.
What are the key properties of 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile?
2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile has a molecular weight of 232.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile is sourced from PubChem (CID 55079162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).