3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile

C17H18N2O — CID 64536348

IUPAC3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
SMILESCOc1ccccc1N(C)CC(C#N)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-19(16-10-6-7-11-17(16)20-2)13-15(12-18)14-8-4-3-5-9-14/h3-11,15H,13H2,1-2H3
InChIKeyUDSNLHGZTFILLE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.44
Rot. Bonds5

About 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile

3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile (PubChem CID 64536348) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
PubChem CID64536348
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
SMILESCOc1ccccc1N(C)CC(C#N)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-19(16-10-6-7-11-17(16)20-2)13-15(12-18)14-8-4-3-5-9-14/h3-11,15H,13H2,1-2H3
InChIKeyUDSNLHGZTFILLE-UHFFFAOYSA-N
XLogP3.44
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N,4-dimethylanilino)-2-phenylpropanenitrile
CID 64536950
3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
CID 64538564
1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245198
3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
CID 114228743
2-methoxy-N-methyl-N-propylaniline
CID 23198488
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline
CID 65012537
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
1-(3,4-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520674
5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101758
3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile
CID 64536346

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile?
The IUPAC name of 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile (CID 64536348) is 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile is COc1ccccc1N(C)CC(C#N)c1ccccc1.
What is the InChIKey of 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile?
The InChIKey is UDSNLHGZTFILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(16-10-6-7-11-17(16)20-2)13-15(12-18)14-8-4-3-5-9-14/h3-11,15H,13H2,1-2H3.
What are the key properties of 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile?
3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile has a molecular weight of 266.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile is sourced from PubChem (CID 64536348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).