4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile

C14H20N2O2 — CID 61418646

IUPAC4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile
SMILESCOCCN(CCOC)c1ccc(C#N)cc1C
InChIInChI=1S/C14H20N2O2/c1-12-10-13(11-15)4-5-14(12)16(6-8-17-2)7-9-18-3/h4-5,10H,6-9H2,1-3H3
InChIKeyPTYPZDBBJPENJL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds7

About 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile

4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile (PubChem CID 61418646) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile
PubChem CID61418646
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile
SMILESCOCCN(CCOC)c1ccc(C#N)cc1C
InChIInChI=1S/C14H20N2O2/c1-12-10-13(11-15)4-5-14(12)16(6-8-17-2)7-9-18-3/h4-5,10H,6-9H2,1-3H3
InChIKeyPTYPZDBBJPENJL-UHFFFAOYSA-N
XLogP1.97
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 61447013
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027
methyl 3-[2-bromo-4-cyano-N-(2-methoxyethyl)anilino]propanoate
CID 82797207
ethyl 2-[2-bromo-4-cyano-N-(2-methoxyethyl)anilino]acetate
CID 82798516
3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82948890
methoxyethane;4-methoxy-3-methylbenzonitrile
CID 142549662
ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101
3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 82796865
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylaniline
CID 62123154
2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide
CID 54990395
3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
CID 55004953
3-methyl-4-[2-methylpropyl(propan-2-yl)amino]benzonitrile
CID 55000681

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile (CID 61418646) is 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile is COCCN(CCOC)c1ccc(C#N)cc1C.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile?
The InChIKey is PTYPZDBBJPENJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-10-13(11-15)4-5-14(12)16(6-8-17-2)7-9-18-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile?
4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile is sourced from PubChem (CID 61418646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).