2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile

C15H19FN2O — CID 63907147

IUPAC2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(COc1cccc(F)c1)C1CC1
InChIInChI=1S/C15H19FN2O/c1-11(2)18-15(9-17,12-6-7-12)10-19-14-5-3-4-13(16)8-14/h3-5,8,11-12,18H,6-7,10H2,1-2H3
InChIKeyRXTWVHOXSZRWIN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.87
Rot. Bonds6

About 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile (PubChem CID 63907147) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
PubChem CID63907147
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(COc1cccc(F)c1)C1CC1
InChIInChI=1S/C15H19FN2O/c1-11(2)18-15(9-17,12-6-7-12)10-19-14-5-3-4-13(16)8-14/h3-5,8,11-12,18H,6-7,10H2,1-2H3
InChIKeyRXTWVHOXSZRWIN-UHFFFAOYSA-N
XLogP2.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
CID 63985003
2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 81268540
2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907770
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
CID 63984999
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
CID 82006690
2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
CID 64804172
1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
CID 115905482
2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile
CID 63905680
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
methyl 2-cyclopropyl-3-(3-methylphenoxy)-2-(propan-2-ylamino)propanoate
CID 63918634
5-(3-fluorophenoxy)-2,2-dimethylpentanenitrile
CID 65255391

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile (CID 63907147) is 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(COc1cccc(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is RXTWVHOXSZRWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(2)18-15(9-17,12-6-7-12)10-19-14-5-3-4-13(16)8-14/h3-5,8,11-12,18H,6-7,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 262.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63907147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).