2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile

C13H18N2O2 — CID 62586059

IUPAC2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1ccc(C(C#N)NCCO)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)17-12-5-3-11(4-6-12)13(9-14)15-7-8-16/h3-6,10,13,15-16H,7-8H2,1-2H3
InChIKeyQZDMZPFDTWJVLB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds6

About 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile

2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile (PubChem CID 62586059) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
PubChem CID62586059
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1ccc(C(C#N)NCCO)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)17-12-5-3-11(4-6-12)13(9-14)15-7-8-16/h3-6,10,13,15-16H,7-8H2,1-2H3
InChIKeyQZDMZPFDTWJVLB-UHFFFAOYSA-N
XLogP1.62
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
2-(4-chloroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60987669
2-(2-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 61006470
2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 82020084
3-hydroxy-3-(4-propan-2-yloxyphenyl)propanenitrile
CID 79116482
2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937375
2-(3-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60990349
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822479

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile (CID 62586059) is 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile is CC(C)Oc1ccc(C(C#N)NCCO)cc1.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile?
The InChIKey is QZDMZPFDTWJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)17-12-5-3-11(4-6-12)13(9-14)15-7-8-16/h3-6,10,13,15-16H,7-8H2,1-2H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile?
2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 62586059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).