2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile

C15H20N2O — CID 43569118

IUPAC2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
SMILESCC(C1CC1)N(C)CCOc1ccccc1C#N
InChIInChI=1S/C15H20N2O/c1-12(13-7-8-13)17(2)9-10-18-15-6-4-3-5-14(15)11-16/h3-6,12-13H,7-10H2,1-2H3
InChIKeyIXIYWUSWWHHGNO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.67
Rot. Bonds6

About 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile

2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile (PubChem CID 43569118) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
PubChem CID43569118
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
SMILESCC(C1CC1)N(C)CCOc1ccccc1C#N
InChIInChI=1S/C15H20N2O/c1-12(13-7-8-13)17(2)9-10-18-15-6-4-3-5-14(15)11-16/h3-6,12-13H,7-10H2,1-2H3
InChIKeyIXIYWUSWWHHGNO-UHFFFAOYSA-N
XLogP2.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[cyclopropyl(methyl)amino]propoxy]benzonitrile
CID 43288957
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-[3-[cycloheptyl(methyl)amino]propoxy]benzonitrile
CID 43614065
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 61222956
2-[1-cyclopropyl-3-(dimethylamino)propoxy]benzonitrile
CID 54155690
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile (CID 43569118) is 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile is CC(C1CC1)N(C)CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile?
The InChIKey is IXIYWUSWWHHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(13-7-8-13)17(2)9-10-18-15-6-4-3-5-14(15)11-16/h3-6,12-13H,7-10H2,1-2H3.
What are the key properties of 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile?
2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43569118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).