4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile

C15H21N3O — CID 81306441

IUPAC4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
SMILESCOc1ccc(C#N)c(N(C)CCN2CCCC2)c1
InChIInChI=1S/C15H21N3O/c1-17(9-10-18-7-3-4-8-18)15-11-14(19-2)6-5-13(15)12-16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyGHAPJYFSSAZAQG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.10
Rot. Bonds5

About 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile

4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile (PubChem CID 81306441) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
PubChem CID81306441
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
SMILESCOc1ccc(C#N)c(N(C)CCN2CCCC2)c1
InChIInChI=1S/C15H21N3O/c1-17(9-10-18-7-3-4-8-18)15-11-14(19-2)6-5-13(15)12-16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyGHAPJYFSSAZAQG-UHFFFAOYSA-N
XLogP2.10
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 114890672
methyl 2-(2-cyano-5-methoxy-N-methylanilino)acetate
CID 81299754
2-[2-(azepan-1-yl)ethylamino]-4-methoxybenzonitrile
CID 81303360
2-bromo-3-fluoro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 107533663
2-[(4-fluorophenyl)methyl-methylamino]-4-methoxybenzonitrile
CID 81299238
4-acetyl-2-[methyl(2-morpholin-4-ylethyl)amino]benzonitrile
CID 133457437
2-chloro-6-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55161481
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509
2-[(2-bromophenyl)methyl-methylamino]-4-methoxybenzonitrile
CID 81299774
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
2-(N,3-dimethylanilino)-4-methoxybenzonitrile
CID 81299255
methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 81296575

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The IUPAC name of 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile (CID 81306441) is 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile.
What is the SMILES notation for 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The canonical SMILES for 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile is COc1ccc(C#N)c(N(C)CCN2CCCC2)c1.
What is the InChIKey of 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile?
The InChIKey is GHAPJYFSSAZAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17(9-10-18-7-3-4-8-18)15-11-14(19-2)6-5-13(15)12-16/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile?
4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile is sourced from PubChem (CID 81306441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).