2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile

C22H28N2O2 — CID 122682530

IUPAC2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile
SMILESCCCN(CCC)c1ccc(-c2cccc(OCCOC)c2C#N)cc1
InChIInChI=1S/C22H28N2O2/c1-4-13-24(14-5-2)19-11-9-18(10-12-19)20-7-6-8-22(21(20)17-23)26-16-15-25-3/h6-12H,4-5,13-16H2,1-3H3
InChIKeyGYGDMHRKMLTACH-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.88
Rot. Bonds10

About 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile

2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile (PubChem CID 122682530) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile.

Molecular Properties

Compound Name2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile
PubChem CID122682530
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile
SMILESCCCN(CCC)c1ccc(-c2cccc(OCCOC)c2C#N)cc1
InChIInChI=1S/C22H28N2O2/c1-4-13-24(14-5-2)19-11-9-18(10-12-19)20-7-6-8-22(21(20)17-23)26-16-15-25-3/h6-12H,4-5,13-16H2,1-3H3
InChIKeyGYGDMHRKMLTACH-UHFFFAOYSA-N
XLogP4.88
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile
CID 146519637
2-decoxy-6-phenylbenzonitrile
CID 70475656
2-[4-(dipropylamino)phenyl]benzonitrile
CID 118401021
ethane;2-[6-[ethyl(propyl)amino]naphthalen-2-yl]-6-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybenzonitrile
CID 144928152
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027
2-(2-methoxyethoxy)-6-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 122682534
3-butoxybenzene-1,2-dicarbonitrile
CID 18469841
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
2,6-diethoxybenzonitrile
CID 3018118
2-bromo-3-(2-methoxyethoxy)benzonitrile
CID 172915395
2-butoxy-6-phenylmethoxybenzonitrile
CID 90930969

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile?
The IUPAC name of 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile (CID 122682530) is 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile.
What is the SMILES notation for 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile?
The canonical SMILES for 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile is CCCN(CCC)c1ccc(-c2cccc(OCCOC)c2C#N)cc1.
What is the InChIKey of 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile?
The InChIKey is GYGDMHRKMLTACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-13-24(14-5-2)19-11-9-18(10-12-19)20-7-6-8-22(21(20)17-23)26-16-15-25-3/h6-12H,4-5,13-16H2,1-3H3.
What are the key properties of 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile?
2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile has a molecular weight of 352.48 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dipropylamino)phenyl]-6-(2-methoxyethoxy)benzonitrile is sourced from PubChem (CID 122682530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).