2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile

C17H18N2O — CID 107803576

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile
SMILESCOCc1cccc(CNc2cccc(C)c2C#N)c1
InChIInChI=1S/C17H18N2O/c1-13-5-3-8-17(16(13)10-18)19-11-14-6-4-7-15(9-14)12-20-2/h3-9,19H,11-12H2,1-2H3
InChIKeyMACLHOHRIVWBBH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.63
Rot. Bonds5

About 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile

2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile (PubChem CID 107803576) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile
PubChem CID107803576
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile
SMILESCOCc1cccc(CNc2cccc(C)c2C#N)c1
InChIInChI=1S/C17H18N2O/c1-13-5-3-8-17(16(13)10-18)19-11-14-6-4-7-15(9-14)12-20-2/h3-9,19H,11-12H2,1-2H3
InChIKeyMACLHOHRIVWBBH-UHFFFAOYSA-N
XLogP3.63
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
CID 107803129
4-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbenzonitrile
CID 61003171
2-[(3,4-dihydroxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803407
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347
2-[(3,5-difluorophenyl)methylamino]-6-methylbenzonitrile
CID 107802943
2-[(3-cyano-4-fluorophenyl)methylamino]-6-methylbenzonitrile
CID 107880704
2-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107804618
3-chloro-4-[[3-(methoxymethyl)phenyl]methylamino]benzonitrile
CID 63093448
2-methyl-6-(pyrimidin-5-ylmethylamino)benzonitrile
CID 114002990
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 107803442
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803630
2-[(2,4-dihydroxyphenyl)methylamino]-6-methylbenzonitrile
CID 107802963

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile (CID 107803576) is 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile is COCc1cccc(CNc2cccc(C)c2C#N)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile?
The InChIKey is MACLHOHRIVWBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-5-3-8-17(16(13)10-18)19-11-14-6-4-7-15(9-14)12-20-2/h3-9,19H,11-12H2,1-2H3.
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile?
2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile is sourced from PubChem (CID 107803576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).