2-[2-(2-aminopropyl)phenoxy]acetonitrile

C11H14N2O — CID 60907829

IUPAC2-[2-(2-aminopropyl)phenoxy]acetonitrile
SMILESCC(N)Cc1ccccc1OCC#N
InChIInChI=1S/C11H14N2O/c1-9(13)8-10-4-2-3-5-11(10)14-7-6-12/h2-5,9H,7-8,13H2,1H3
InChIKeyXYJLHWPEFUZLSL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.48
Rot. Bonds4

About 2-[2-(2-aminopropyl)phenoxy]acetonitrile

2-[2-(2-aminopropyl)phenoxy]acetonitrile (PubChem CID 60907829) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)phenoxy]acetonitrile
PubChem CID60907829
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[2-(2-aminopropyl)phenoxy]acetonitrile
SMILESCC(N)Cc1ccccc1OCC#N
InChIInChI=1S/C11H14N2O/c1-9(13)8-10-4-2-3-5-11(10)14-7-6-12/h2-5,9H,7-8,13H2,1H3
InChIKeyXYJLHWPEFUZLSL-UHFFFAOYSA-N
XLogP1.48
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461
2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
CID 60907852
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
CID 61392513
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252386
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
3-[[2-(2-aminopropyl)phenoxy]methyl]benzonitrile
CID 60908416
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)phenoxy]acetonitrile?
The IUPAC name of 2-[2-(2-aminopropyl)phenoxy]acetonitrile (CID 60907829) is 2-[2-(2-aminopropyl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(2-aminopropyl)phenoxy]acetonitrile?
The canonical SMILES for 2-[2-(2-aminopropyl)phenoxy]acetonitrile is CC(N)Cc1ccccc1OCC#N.
What is the InChIKey of 2-[2-(2-aminopropyl)phenoxy]acetonitrile?
The InChIKey is XYJLHWPEFUZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(13)8-10-4-2-3-5-11(10)14-7-6-12/h2-5,9H,7-8,13H2,1H3.
What are the key properties of 2-[2-(2-aminopropyl)phenoxy]acetonitrile?
2-[2-(2-aminopropyl)phenoxy]acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)phenoxy]acetonitrile is sourced from PubChem (CID 60907829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).