2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile

C17H22N2O2 — CID 63984999

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
SMILESCOCc1cccc(OCC(C#N)(NC2CC2)C2CC2)c1
InChIInChI=1S/C17H22N2O2/c1-20-10-13-3-2-4-16(9-13)21-12-17(11-18,14-5-6-14)19-15-7-8-15/h2-4,9,14-15,19H,5-8,10,12H2,1H3
InChIKeyMGTMVRMMAWDCAH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.64
Rot. Bonds8

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

2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile (PubChem CID 63984999) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
PubChem CID63984999
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
SMILESCOCc1cccc(OCC(C#N)(NC2CC2)C2CC2)c1
InChIInChI=1S/C17H22N2O2/c1-20-10-13-3-2-4-16(9-13)21-12-17(11-18,14-5-6-14)19-15-7-8-15/h2-4,9,14-15,19H,5-8,10,12H2,1H3
InChIKeyMGTMVRMMAWDCAH-UHFFFAOYSA-N
XLogP2.64
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
CID 63985003
2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]-2-methylpropanamide
CID 63984624
3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
CID 63984047
2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907147
2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile
CID 63905680
ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
CID 63984055
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol
CID 64810413
1-(3-bromo-2,2-dimethylpropoxy)-3-(methoxymethyl)benzene
CID 65000197
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile (CID 63984999) is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile is COCc1cccc(OCC(C#N)(NC2CC2)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile?
The InChIKey is MGTMVRMMAWDCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-20-10-13-3-2-4-16(9-13)21-12-17(11-18,14-5-6-14)19-15-7-8-15/h2-4,9,14-15,19H,5-8,10,12H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile has a molecular weight of 286.38 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile is sourced from PubChem (CID 63984999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).