2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile

C14H18N2O2 — CID 66335480

IUPAC2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile
SMILESCC(O)(CNC1CC1)COc1ccccc1C#N
InChIInChI=1S/C14H18N2O2/c1-14(17,9-16-12-6-7-12)10-18-13-5-3-2-4-11(13)8-15/h2-5,12,16-17H,6-7,9-10H2,1H3
InChIKeyGOTJGMDBWAUFDH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.44
Rot. Bonds6

About 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile

2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile (PubChem CID 66335480) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile
PubChem CID66335480
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile
SMILESCC(O)(CNC1CC1)COc1ccccc1C#N
InChIInChI=1S/C14H18N2O2/c1-14(17,9-16-12-6-7-12)10-18-13-5-3-2-4-11(13)8-15/h2-5,12,16-17H,6-7,9-10H2,1H3
InChIKeyGOTJGMDBWAUFDH-UHFFFAOYSA-N
XLogP1.44
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
CID 107657515
1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335499
2-[2-(dimethylamino)-2-methylpropoxy]benzonitrile
CID 79680313
1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336244
1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335627
1-(2-chloro-6-nitrophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107716495
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
tert-butyl (3S)-3-[[2-(2-cyanophenoxy)acetyl]amino]pyrrolidine-1-carboxylate
CID 96510525
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880584

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile?
The IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile (CID 66335480) is 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile.
What is the SMILES notation for 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile?
The canonical SMILES for 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile is CC(O)(CNC1CC1)COc1ccccc1C#N.
What is the InChIKey of 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile?
The InChIKey is GOTJGMDBWAUFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(17,9-16-12-6-7-12)10-18-13-5-3-2-4-11(13)8-15/h2-5,12,16-17H,6-7,9-10H2,1H3.
What are the key properties of 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile?
2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile is sourced from PubChem (CID 66335480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).