2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile

C17H24N2O2 — CID 63985003

IUPAC2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
SMILESCOCc1cccc(OCC(C#N)(NC(C)C)C2CC2)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)19-17(11-18,15-7-8-15)12-21-16-6-4-5-14(9-16)10-20-3/h4-6,9,13,15,19H,7-8,10,12H2,1-3H3
InChIKeyIJUMZLGWBLCCHR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.88
Rot. Bonds8

About 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile (PubChem CID 63985003) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
PubChem CID63985003
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
SMILESCOCc1cccc(OCC(C#N)(NC(C)C)C2CC2)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)19-17(11-18,15-7-8-15)12-21-16-6-4-5-14(9-16)10-20-3/h4-6,9,13,15,19H,7-8,10,12H2,1-3H3
InChIKeyIJUMZLGWBLCCHR-UHFFFAOYSA-N
XLogP2.88
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
CID 63984999
2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907147
2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907770
2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 81268540
3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
CID 63984047
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64728224
ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
CID 63984055
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
1-(3-bromo-2,2-dimethylpropoxy)-3-(methoxymethyl)benzene
CID 65000197
2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]-2-methylpropanamide
CID 63984624
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
CID 82006690

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile (CID 63985003) is 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile is COCc1cccc(OCC(C#N)(NC(C)C)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is IJUMZLGWBLCCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)19-17(11-18,15-7-8-15)12-21-16-6-4-5-14(9-16)10-20-3/h4-6,9,13,15,19H,7-8,10,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 288.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63985003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).