3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile

C13H16N2O — CID 43288952

IUPAC3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C13H16N2O/c1-15(12-5-6-12)7-8-16-13-4-2-3-11(9-13)10-14/h2-4,9,12H,5-8H2,1H3
InChIKeyZSDFLWJVYWZKJA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.03
Rot. Bonds5

About 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile

3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile (PubChem CID 43288952) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
PubChem CID43288952
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C13H16N2O/c1-15(12-5-6-12)7-8-16-13-4-2-3-11(9-13)10-14/h2-4,9,12H,5-8H2,1H3
InChIKeyZSDFLWJVYWZKJA-UHFFFAOYSA-N
XLogP2.03
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-Methylphenoxy)propyl]morpholine
CID 2057395
4-[2-(Dimethylamino)ethoxy]benzonitrile
CID 546912
1-[2-(3-Ethylphenoxy)ethyl]pyrrolidine
CID 803376
N,N-diethyl-2-(3-isopropylphenoxy)ethanamine
CID 869467
2-(3-Methoxyphenyl)-2-(morpholin-4-yl)acetonitrile
CID 3821373
4-(1-Propan-2-ylpiperidin-4-yl)oxybenzonitrile
CID 9878125
4-(1-Butan-2-ylpiperidin-4-yl)oxybenzonitrile
CID 9965041
N,N-Diethyl-2-(4-methylphenoxy)ethanamine
CID 209451
2-[4-[2-[Di(propan-2-yl)amino]ethoxy]phenyl]-3,3-diphenylprop-2-enenitrile
CID 15123162
diethyl-methyl-[(1R,2R)-2-[4-[(E)-2-phenylethenyl]phenoxy]cyclopropyl]azanium iodide
CID 168279839
diethyl-methyl-[(1S,2R)-2-[4-[(E)-2-phenylethenyl]phenoxy]cyclopropyl]azanium iodide
CID 168284605
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-benzonitrile
CID 22857698

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile (CID 43288952) is 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile is CN(CCOc1cccc(C#N)c1)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile?
The InChIKey is ZSDFLWJVYWZKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15(12-5-6-12)7-8-16-13-4-2-3-11(9-13)10-14/h2-4,9,12H,5-8H2,1H3.
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile?
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43288952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).