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

C13H16N2O2 — CID 63906534

IUPAC2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile
SMILESN#CC(N)(COc1ccccc1CO)C1CC1
InChIInChI=1S/C13H16N2O2/c14-8-13(15,11-5-6-11)9-17-12-4-2-1-3-10(12)7-16/h1-4,11,16H,5-7,9,15H2
InChIKeyXALKFEDDTNHFDQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.19
Rot. Bonds5

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

2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile (PubChem CID 63906534) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile
PubChem CID63906534
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile
SMILESN#CC(N)(COc1ccccc1CO)C1CC1
InChIInChI=1S/C13H16N2O2/c14-8-13(15,11-5-6-11)9-17-12-4-2-1-3-10(12)7-16/h1-4,11,16H,5-7,9,15H2
InChIKeyXALKFEDDTNHFDQ-UHFFFAOYSA-N
XLogP1.19
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile
CID 63906328
2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64811391
2-amino-2-cyclopropyl-3-[2-(2-hydroxyethyl)phenoxy]propan-1-ol
CID 107714233
2-(ethylamino)-3-[2-(hydroxymethyl)phenoxy]-2-methylpropanenitrile
CID 63654510
[2-(cyclobutylmethoxy)phenyl]methanol
CID 58083532
2-amino-2-cyclopropyl-3-(4-nitrophenoxy)propanenitrile
CID 63907786
2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile
CID 63905910
2-amino-3-[2-(hydroxymethyl)phenoxy]-2-phenylpropanamide
CID 63654675
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
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]ethanimidamide
CID 77003791

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile (CID 63906534) is 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile is N#CC(N)(COc1ccccc1CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile?
The InChIKey is XALKFEDDTNHFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-8-13(15,11-5-6-11)9-17-12-4-2-1-3-10(12)7-16/h1-4,11,16H,5-7,9,15H2.
What are the key properties of 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile?
2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile has a molecular weight of 232.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile is sourced from PubChem (CID 63906534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).