2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile

C11H13FN2O — CID 115131065

IUPAC2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile
SMILESCOc1ccc(F)cc1CN(C)CC#N
InChIInChI=1S/C11H13FN2O/c1-14(6-5-13)8-9-7-10(12)3-4-11(9)15-2/h3-4,7H,6,8H2,1-2H3
InChIKeyBFVIOGLPZJDUGB-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.79
Rot. Bonds4

About 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile

2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile (PubChem CID 115131065) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile
PubChem CID115131065
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile
SMILESCOc1ccc(F)cc1CN(C)CC#N
InChIInChI=1S/C11H13FN2O/c1-14(6-5-13)8-9-7-10(12)3-4-11(9)15-2/h3-4,7H,6,8H2,1-2H3
InChIKeyBFVIOGLPZJDUGB-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 115230942
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl-methylamino]acetonitrile
CID 115131167
3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223032
1-[[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242579
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetonitrile
CID 75482847
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129680
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131363

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile (CID 115131065) is 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile is COc1ccc(F)cc1CN(C)CC#N.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile?
The InChIKey is BFVIOGLPZJDUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-14(6-5-13)8-9-7-10(12)3-4-11(9)15-2/h3-4,7H,6,8H2,1-2H3.
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile?
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile has a molecular weight of 208.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile is sourced from PubChem (CID 115131065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).