1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile

C20H22N2O — CID 130453663

IUPAC1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile
SMILESCN(CCOc1ccccc1C1(C#N)CC1)Cc1ccccc1
InChIInChI=1S/C20H22N2O/c1-22(15-17-7-3-2-4-8-17)13-14-23-19-10-6-5-9-18(19)20(16-21)11-12-20/h2-10H,11-15H2,1H3
InChIKeyKUXVCFYKNSYFFM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.75
Rot. Bonds7

About 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile

1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile (PubChem CID 130453663) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile
PubChem CID130453663
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile
SMILESCN(CCOc1ccccc1C1(C#N)CC1)Cc1ccccc1
InChIInChI=1S/C20H22N2O/c1-22(15-17-7-3-2-4-8-17)13-14-23-19-10-6-5-9-18(19)20(16-21)11-12-20/h2-10H,11-15H2,1H3
InChIKeyKUXVCFYKNSYFFM-UHFFFAOYSA-N
XLogP3.75
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile (CID 130453663) is 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile is CN(CCOc1ccccc1C1(C#N)CC1)Cc1ccccc1.
What is the InChIKey of 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is KUXVCFYKNSYFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-22(15-17-7-3-2-4-8-17)13-14-23-19-10-6-5-9-18(19)20(16-21)11-12-20/h2-10H,11-15H2,1H3.
What are the key properties of 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile?
1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 306.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130453663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).