2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile

C14H18N2O2 — CID 63905669

IUPAC2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile
SMILESN#CC(N)(COCCOc1ccccc1)C1CC1
InChIInChI=1S/C14H18N2O2/c15-10-14(16,12-6-7-12)11-17-8-9-18-13-4-2-1-3-5-13/h1-5,12H,6-9,11,16H2
InChIKeyNCSMTZGHRYVMNB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.71
Rot. Bonds7

About 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile

2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile (PubChem CID 63905669) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile
PubChem CID63905669
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile
SMILESN#CC(N)(COCCOc1ccccc1)C1CC1
InChIInChI=1S/C14H18N2O2/c15-10-14(16,12-6-7-12)11-17-8-9-18-13-4-2-1-3-5-13/h1-5,12H,6-9,11,16H2
InChIKeyNCSMTZGHRYVMNB-UHFFFAOYSA-N
XLogP1.71
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]propanenitrile
CID 63906534
2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propanenitrile
CID 82789681
2,2-dimethyl-6-(2-phenoxyethoxy)hexanenitrile
CID 106710375
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
2-amino-3-(4-butylphenoxy)-2-cyclopropylpropanenitrile
CID 115493082
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
2-methyl-1-(3-phenoxypropoxy)propan-2-amine
CID 64537390
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
CID 64812936
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2-(3-bromopropoxy)ethoxybenzene
CID 43135436

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile (CID 63905669) is 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile is N#CC(N)(COCCOc1ccccc1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile?
The InChIKey is NCSMTZGHRYVMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-10-14(16,12-6-7-12)11-17-8-9-18-13-4-2-1-3-5-13/h1-5,12H,6-9,11,16H2.
What are the key properties of 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile?
2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile has a molecular weight of 246.31 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-phenoxyethoxy)propanenitrile is sourced from PubChem (CID 63905669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).