3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile

C14H20N2O — CID 62050074

IUPAC3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-17-13-12-16(10-5-9-15)11-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8,10-13H2,1H3
InChIKeyAVBILYMYWYQECX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds8

About 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile

3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile (PubChem CID 62050074) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile
PubChem CID62050074
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-17-13-12-16(10-5-9-15)11-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8,10-13H2,1H3
InChIKeyAVBILYMYWYQECX-UHFFFAOYSA-N
XLogP2.09
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
2-methoxyethyl 4-[2-cyanoethyl(2-phenylethyl)amino]-4-oxobutanoate
CID 54790631
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[phenacyl(2-phenylethyl)amino]propanenitrile
CID 70464918
2-[4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105346010
2-[ethyl(2-phenylethyl)amino]acetonitrile
CID 60970456
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
2-[2-phenylethyl(propyl)amino]acetonitrile
CID 55206924
3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
CID 79046293
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
2-methoxyethylbenzene
CID 19089

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile (CID 62050074) is 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile is COCCN(CCC#N)CCc1ccccc1.
What is the InChIKey of 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile?
The InChIKey is AVBILYMYWYQECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-13-12-16(10-5-9-15)11-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8,10-13H2,1H3.
What are the key properties of 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile?
3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile is sourced from PubChem (CID 62050074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).