4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile

C15H21N3O — CID 106613675

IUPAC4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1ccc(C#N)cc1)CC1CCCN1
InChIInChI=1S/C15H21N3O/c1-18(12-14-3-2-8-17-14)9-10-19-15-6-4-13(11-16)5-7-15/h4-7,14,17H,2-3,8-10,12H2,1H3
InChIKeySFWAPTFFNJMXRI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.62
Rot. Bonds6

About 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile

4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile (PubChem CID 106613675) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile
PubChem CID106613675
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1ccc(C#N)cc1)CC1CCCN1
InChIInChI=1S/C15H21N3O/c1-18(12-14-3-2-8-17-14)9-10-19-15-6-4-13(11-16)5-7-15/h4-7,14,17H,2-3,8-10,12H2,1H3
InChIKeySFWAPTFFNJMXRI-UHFFFAOYSA-N
XLogP1.62
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106613622
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 174499789
4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile
CID 55173155
4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethoxy]benzonitrile
CID 105414678
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614892
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile
CID 43541120
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile (CID 106613675) is 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile is CN(CCOc1ccc(C#N)cc1)CC1CCCN1.
What is the InChIKey of 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile?
The InChIKey is SFWAPTFFNJMXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(12-14-3-2-8-17-14)9-10-19-15-6-4-13(11-16)5-7-15/h4-7,14,17H,2-3,8-10,12H2,1H3.
What are the key properties of 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile?
4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile has a molecular weight of 259.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 106613675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).