2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile

C14H20N2O2 — CID 61427477

IUPAC2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
SMILESCOCCN(C)CCOc1ccc(CC#N)cc1
InChIInChI=1S/C14H20N2O2/c1-16(9-11-17-2)10-12-18-14-5-3-13(4-6-14)7-8-15/h3-6H,7,9-12H2,1-2H3
InChIKeyNXHWOERAJUWOHE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds8

About 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile

2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile (PubChem CID 61427477) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
PubChem CID61427477
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
SMILESCOCCN(C)CCOc1ccc(CC#N)cc1
InChIInChI=1S/C14H20N2O2/c1-16(9-11-17-2)10-12-18-14-5-3-13(4-6-14)7-8-15/h3-6H,7,9-12H2,1-2H3
InChIKeyNXHWOERAJUWOHE-UHFFFAOYSA-N
XLogP1.71
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile (CID 61427477) is 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile is COCCN(C)CCOc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile?
The InChIKey is NXHWOERAJUWOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(9-11-17-2)10-12-18-14-5-3-13(4-6-14)7-8-15/h3-6H,7,9-12H2,1-2H3.
What are the key properties of 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile?
2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 61427477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).