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

C10H11FN2O — CID 115130950

IUPAC2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
SMILESCOc1ccc(F)cc1CNCC#N
InChIInChI=1S/C10H11FN2O/c1-14-10-3-2-9(11)6-8(10)7-13-5-4-12/h2-3,6,13H,5,7H2,1H3
InChIKeyUNOUHKDSGNGOIJ-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.45
Rot. Bonds4

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

2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile (PubChem CID 115130950) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
PubChem CID115130950
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
SMILESCOc1ccc(F)cc1CNCC#N
InChIInChI=1S/C10H11FN2O/c1-14-10-3-2-9(11)6-8(10)7-13-5-4-12/h2-3,6,13H,5,7H2,1H3
InChIKeyUNOUHKDSGNGOIJ-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131065
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-fluoro-2-methoxyphenyl)methanamine
CID 115244075
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide
CID 110780215
2-[(2,4-dimethoxy-3-methylphenyl)methylamino]acetonitrile
CID 115131002
2-[4-fluoro-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 107696719
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile (CID 115130950) is 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile is COc1ccc(F)cc1CNCC#N.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile?
The InChIKey is UNOUHKDSGNGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-14-10-3-2-9(11)6-8(10)7-13-5-4-12/h2-3,6,13H,5,7H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile?
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile has a molecular weight of 194.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile is sourced from PubChem (CID 115130950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).