5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile

C15H14N2O2 — CID 55134763

IUPAC5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1cccc(COc2ccc(N)cc2C#N)c1
InChIInChI=1S/C15H14N2O2/c1-18-14-4-2-3-11(7-14)10-19-15-6-5-13(17)8-12(15)9-16/h2-8H,10,17H2,1H3
InChIKeyKQIQRLXSSASKHW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds4

About 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile

5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile (PubChem CID 55134763) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
PubChem CID55134763
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1cccc(COc2ccc(N)cc2C#N)c1
InChIInChI=1S/C15H14N2O2/c1-18-14-4-2-3-11(7-14)10-19-15-6-5-13(17)8-12(15)9-16/h2-8H,10,17H2,1H3
InChIKeyKQIQRLXSSASKHW-UHFFFAOYSA-N
XLogP2.73
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
CID 113269444
5-[[3-(2-aminoethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339062
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
5-amino-2-[(4-iodophenyl)methoxy]benzonitrile
CID 65499926
5-amino-2-[2-(3-methoxyphenyl)ethylamino]benzonitrile
CID 107845117
5-[[3-(chloromethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339485
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80510175
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile?
The IUPAC name of 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile (CID 55134763) is 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile.
What is the SMILES notation for 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile?
The canonical SMILES for 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile is COc1cccc(COc2ccc(N)cc2C#N)c1.
What is the InChIKey of 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile?
The InChIKey is KQIQRLXSSASKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-14-4-2-3-11(7-14)10-19-15-6-5-13(17)8-12(15)9-16/h2-8H,10,17H2,1H3.
What are the key properties of 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile?
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile is sourced from PubChem (CID 55134763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).