4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile

C14H19N3O — CID 55173155

IUPAC4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1ccc(C#N)cc1)C1CCNC1
InChIInChI=1S/C14H19N3O/c1-17(13-6-7-16-11-13)8-9-18-14-4-2-12(10-15)3-5-14/h2-5,13,16H,6-9,11H2,1H3
InChIKeyBMEUJLZGXSTAEQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.23
Rot. Bonds5

About 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile

4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile (PubChem CID 55173155) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile
PubChem CID55173155
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1ccc(C#N)cc1)C1CCNC1
InChIInChI=1S/C14H19N3O/c1-17(13-6-7-16-11-13)8-9-18-14-4-2-12(10-15)3-5-14/h2-5,13,16H,6-9,11H2,1H3
InChIKeyBMEUJLZGXSTAEQ-UHFFFAOYSA-N
XLogP1.23
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
CID 43607235
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
4-[3-[methyl(oxan-4-yl)amino]propoxy]benzonitrile
CID 43611129
N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 63300307
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile
CID 43541120
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
CID 120857759
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 106613675
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
CID 104565137
4-[methyl(pyrrolidin-3-yl)amino]butanenitrile
CID 63301779

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile (CID 55173155) is 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile is CN(CCOc1ccc(C#N)cc1)C1CCNC1.
What is the InChIKey of 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile?
The InChIKey is BMEUJLZGXSTAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(13-6-7-16-11-13)8-9-18-14-4-2-12(10-15)3-5-14/h2-5,13,16H,6-9,11H2,1H3.
What are the key properties of 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile?
4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 55173155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).