2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile

C14H18N2O2 — CID 63906328

IUPAC2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COc1ccccc1CO)C1CC1
InChIInChI=1S/C14H18N2O2/c1-16-14(9-15,12-6-7-12)10-18-13-5-3-2-4-11(13)8-17/h2-5,12,16-17H,6-8,10H2,1H3
InChIKeyIDNIVPIVXVHDPK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.45
Rot. Bonds6

About 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile

2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile (PubChem CID 63906328) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile
PubChem CID63906328
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COc1ccccc1CO)C1CC1
InChIInChI=1S/C14H18N2O2/c1-16-14(9-15,12-6-7-12)10-18-13-5-3-2-4-11(13)8-17/h2-5,12,16-17H,6-8,10H2,1H3
InChIKeyIDNIVPIVXVHDPK-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
CID 63906095
2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile
CID 63906534
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64811391
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
2-(ethylamino)-3-[2-(hydroxymethyl)phenoxy]-2-methylpropanenitrile
CID 63654510
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
CID 63908192
[2-(cyclobutylmethoxy)phenyl]methanol
CID 58083532
3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905879
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494372
[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 103067254
(2-prop-2-enoxyphenyl)methanol
CID 11137475

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile (CID 63906328) is 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile is CNC(C#N)(COc1ccccc1CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile?
The InChIKey is IDNIVPIVXVHDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-14(9-15,12-6-7-12)10-18-13-5-3-2-4-11(13)8-17/h2-5,12,16-17H,6-8,10H2,1H3.
What are the key properties of 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile?
2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile has a molecular weight of 246.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile is sourced from PubChem (CID 63906328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).