2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile

C10H12N2O — CID 82503453

IUPAC2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile
SMILESCc1ccc(CN)c(OCC#N)c1
InChIInChI=1S/C10H12N2O/c1-8-2-3-9(7-12)10(6-8)13-5-4-11/h2-3,6H,5,7,12H2,1H3
InChIKeyPRBQUXSRPYIYQH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.36
Rot. Bonds3

About 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile

2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile (PubChem CID 82503453) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile
PubChem CID82503453
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile
SMILESCc1ccc(CN)c(OCC#N)c1
InChIInChI=1S/C10H12N2O/c1-8-2-3-9(7-12)10(6-8)13-5-4-11/h2-3,6H,5,7,12H2,1H3
InChIKeyPRBQUXSRPYIYQH-UHFFFAOYSA-N
XLogP1.36
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461
1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680205
[2-(cyanomethoxy)-4-methylphenyl] formate
CID 174830177
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
CID 63323548
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]acetonitrile
CID 63326558
(2-but-2-ynoxy-5-methylphenyl)methanamine
CID 63322467
2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile
CID 131209243
2-(5-amino-2-methylphenoxy)acetonitrile
CID 43520229
[2-(4,4-dimethylpent-2-ynoxy)-5-methylphenyl]methanamine
CID 114189772
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile?
The IUPAC name of 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile (CID 82503453) is 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile is Cc1ccc(CN)c(OCC#N)c1.
What is the InChIKey of 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile?
The InChIKey is PRBQUXSRPYIYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-2-3-9(7-12)10(6-8)13-5-4-11/h2-3,6H,5,7,12H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile?
2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile is sourced from PubChem (CID 82503453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).