3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile

C13H18N2O — CID 62778735

IUPAC3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
SMILESCOCCN(C)C(CC#N)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-15(10-11-16-2)13(8-9-14)12-6-4-3-5-7-12/h3-7,13H,8,10-11H2,1-2H3
InChIKeyGPIXVZBLLNIYJS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.22
Rot. Bonds6

About 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile

3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile (PubChem CID 62778735) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
PubChem CID62778735
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
SMILESCOCCN(C)C(CC#N)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-15(10-11-16-2)13(8-9-14)12-6-4-3-5-7-12/h3-7,13H,8,10-11H2,1-2H3
InChIKeyGPIXVZBLLNIYJS-UHFFFAOYSA-N
XLogP2.22
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 62778905
3-[3-hydroxybutyl(methyl)amino]-3-phenylpropanenitrile
CID 113499592
methyl 4-[(2-cyano-1-phenylethyl)-methylamino]butanoate
CID 62778555
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-phenylpropanenitrile
CID 62780066
3-(dipropylamino)-3-phenylpropanenitrile
CID 55117965
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile
CID 105414729
3-(dibutylamino)-3-phenylpropanenitrile
CID 62779901
(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
CID 11447743
3-(3-methoxypropoxy)-3-phenylpropanenitrile
CID 115001313
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
3-(2-methoxyethoxyamino)-3-phenylpropanenitrile
CID 82722769
3-(2-methoxyethylsulfinyl)-3-phenylpropanenitrile
CID 64691543

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile (CID 62778735) is 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile is COCCN(C)C(CC#N)c1ccccc1.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile?
The InChIKey is GPIXVZBLLNIYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(10-11-16-2)13(8-9-14)12-6-4-3-5-7-12/h3-7,13H,8,10-11H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile?
3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile has a molecular weight of 218.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile is sourced from PubChem (CID 62778735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).