2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile

C9H9ClN2O — CID 131209243

IUPAC2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile
SMILESN#CCOc1cccc(CN)c1Cl
InChIInChI=1S/C9H9ClN2O/c10-9-7(6-12)2-1-3-8(9)13-5-4-11/h1-3H,5-6,12H2
InChIKeyRNESRGDRMDYWLL-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.70
Rot. Bonds3

About 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile

2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile (PubChem CID 131209243) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile
PubChem CID131209243
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile
SMILESN#CCOc1cccc(CN)c1Cl
InChIInChI=1S/C9H9ClN2O/c10-9-7(6-12)2-1-3-8(9)13-5-4-11/h1-3H,5-6,12H2
InChIKeyRNESRGDRMDYWLL-UHFFFAOYSA-N
XLogP1.70
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile
CID 82503453
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
2-[2-chloro-3-(cyclopropylmethoxy)phenyl]acetonitrile
CID 84788345
2-naphthalen-1-yloxyacetonitrile
CID 4123375
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-(2,6-dichlorophenoxy)acetonitrile
CID 2799245
2-(cyanomethoxy)benzonitrile
CID 4156437
2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
CID 82503447
(2-prop-2-ynoxyphenyl)methanamine;hydrochloride
CID 50988698

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile?
The IUPAC name of 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile (CID 131209243) is 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile.
What is the SMILES notation for 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile?
The canonical SMILES for 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile is N#CCOc1cccc(CN)c1Cl.
What is the InChIKey of 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile?
The InChIKey is RNESRGDRMDYWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-9-7(6-12)2-1-3-8(9)13-5-4-11/h1-3H,5-6,12H2.
What are the key properties of 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile?
2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile has a molecular weight of 196.64 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile is sourced from PubChem (CID 131209243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).