3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile

C18H20N2O — CID 64536413

IUPAC3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
SMILESCOCc1ccccc1CNCC(C#N)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-21-14-17-10-6-5-9-16(17)12-20-13-18(11-19)15-7-3-2-4-8-15/h2-10,18,20H,12-14H2,1H3
InChIKeyJHUWTRLFIDZHBT-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.23
Rot. Bonds7

About 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile

3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile (PubChem CID 64536413) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
PubChem CID64536413
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
SMILESCOCc1ccccc1CNCC(C#N)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-21-14-17-10-6-5-9-16(17)12-20-13-18(11-19)15-7-3-2-4-8-15/h2-10,18,20H,12-14H2,1H3
InChIKeyJHUWTRLFIDZHBT-UHFFFAOYSA-N
XLogP3.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64538441
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
3-[(2-nitrophenyl)methylamino]-2-phenylpropanenitrile
CID 64536630
3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile
CID 113450152
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
3-[(5-ethylthiophen-2-yl)methylamino]-2-phenylpropanenitrile
CID 106011074
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176
3-[2-[di(propan-2-yl)amino]ethylamino]-2-phenylpropanenitrile
CID 64535404
3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
CID 105416496
3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile
CID 64605677
3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
CID 64537208

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile (CID 64536413) is 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile is COCc1ccccc1CNCC(C#N)c1ccccc1.
What is the InChIKey of 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile?
The InChIKey is JHUWTRLFIDZHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-14-17-10-6-5-9-16(17)12-20-13-18(11-19)15-7-3-2-4-8-15/h2-10,18,20H,12-14H2,1H3.
What are the key properties of 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile?
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile has a molecular weight of 280.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 64536413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).