3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile

C12H16N2O2 — CID 19873169

IUPAC3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile
SMILESCCNc1cccc(C#N)c1OCC(C)O
InChIInChI=1S/C12H16N2O2/c1-3-14-11-6-4-5-10(7-13)12(11)16-8-9(2)15/h4-6,9,14-15H,3,8H2,1-2H3
InChIKeyBMZANUBFAIAEKL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.75
Rot. Bonds5

About 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile

3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile (PubChem CID 19873169) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile.

Molecular Properties

Compound Name3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile
PubChem CID19873169
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile
SMILESCCNc1cccc(C#N)c1OCC(C)O
InChIInChI=1S/C12H16N2O2/c1-3-14-11-6-4-5-10(7-13)12(11)16-8-9(2)15/h4-6,9,14-15H,3,8H2,1-2H3
InChIKeyBMZANUBFAIAEKL-UHFFFAOYSA-N
XLogP1.75
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-2-methylbenzonitrile
CID 130920510
2-ethoxybenzene-1,3-dicarbonitrile
CID 23083446
2-(3-hydroxybutylamino)benzonitrile
CID 64910857
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
2-(2,2-difluoroethoxy)-3-methylbenzonitrile
CID 107107597
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
2-amino-3-[(2-hydroxy-3-methoxypropyl)amino]benzonitrile
CID 104716802
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
2-[[3-fluoro-2-(2-methylpropoxy)anilino]methylidene]propanedinitrile
CID 168543446
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile?
The IUPAC name of 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile (CID 19873169) is 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile.
What is the SMILES notation for 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile?
The canonical SMILES for 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile is CCNc1cccc(C#N)c1OCC(C)O.
What is the InChIKey of 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile?
The InChIKey is BMZANUBFAIAEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-14-11-6-4-5-10(7-13)12(11)16-8-9(2)15/h4-6,9,14-15H,3,8H2,1-2H3.
What are the key properties of 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile?
3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-(2-hydroxypropoxy)benzonitrile is sourced from PubChem (CID 19873169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).