2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile

C12H14N2O — CID 65482283

IUPAC2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(COc2ccccc2N)CC1
InChIInChI=1S/C12H14N2O/c13-8-7-12(5-6-12)9-15-11-4-2-1-3-10(11)14/h1-4H,5-7,9,14H2
InChIKeyOWOQVHXNPGEQSO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.34
Rot. Bonds4

About 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile

2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile (PubChem CID 65482283) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
PubChem CID65482283
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(COc2ccccc2N)CC1
InChIInChI=1S/C12H14N2O/c13-8-7-12(5-6-12)9-15-11-4-2-1-3-10(11)14/h1-4H,5-7,9,14H2
InChIKeyOWOQVHXNPGEQSO-UHFFFAOYSA-N
XLogP2.34
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[(2-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65497135
2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480727
2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
CID 65493035
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65496934
2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65479716
2-[2-(2-aminophenoxy)ethyl-(cyanomethyl)amino]acetonitrile
CID 43365602
2-[[4-(aminomethyl)oxan-4-yl]methoxy]aniline
CID 117095489
2-[1-[[4-chloro-2-(chloromethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65497572
4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-fluorobenzenesulfonamide
CID 82921206
2-[1-[[2-(chloromethyl)-4-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 65496732

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile (CID 65482283) is 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile is N#CCC1(COc2ccccc2N)CC1.
What is the InChIKey of 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile?
The InChIKey is OWOQVHXNPGEQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-7-12(5-6-12)9-15-11-4-2-1-3-10(11)14/h1-4H,5-7,9,14H2.
What are the key properties of 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65482283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).