2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile

C17H18N2O — CID 62306735

IUPAC2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
SMILESCOCc1ccccc1CNc1cc(C)ccc1C#N
InChIInChI=1S/C17H18N2O/c1-13-7-8-14(10-18)17(9-13)19-11-15-5-3-4-6-16(15)12-20-2/h3-9,19H,11-12H2,1-2H3
InChIKeyVACYYKSGULPNFU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.63
Rot. Bonds5

About 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile

2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile (PubChem CID 62306735) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
PubChem CID62306735
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
SMILESCOCc1ccccc1CNc1cc(C)ccc1C#N
InChIInChI=1S/C17H18N2O/c1-13-7-8-14(10-18)17(9-13)19-11-15-5-3-4-6-16(15)12-20-2/h3-9,19H,11-12H2,1-2H3
InChIKeyVACYYKSGULPNFU-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-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62308969
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
CID 63362795
2-(1,3-benzodioxol-4-ylmethylamino)-4-methylbenzonitrile
CID 62307446
2-[(2-bromo-5-methylanilino)methyl]benzonitrile
CID 103865844
2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
4-[[2-(methoxymethyl)phenyl]methylamino]-3-nitrobenzonitrile
CID 34002817
2-[(2-fluoro-4-methylanilino)methyl]benzonitrile
CID 28879330
2-[(2-bromo-5-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62307264
2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile
CID 81299307
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile?
The IUPAC name of 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile (CID 62306735) is 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile?
The canonical SMILES for 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile is COCc1ccccc1CNc1cc(C)ccc1C#N.
What is the InChIKey of 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile?
The InChIKey is VACYYKSGULPNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-7-8-14(10-18)17(9-13)19-11-15-5-3-4-6-16(15)12-20-2/h3-9,19H,11-12H2,1-2H3.
What are the key properties of 2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile?
2-[[2-(methoxymethyl)phenyl]methylamino]-4-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-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile is sourced from PubChem (CID 62306735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).