4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile

C15H17N3O — CID 103202753

IUPAC4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCOCc1ccccc1NCc1cc(C#N)n(C)c1
InChIInChI=1S/C15H17N3O/c1-18-10-12(7-14(18)8-16)9-17-15-6-4-3-5-13(15)11-19-2/h3-7,10,17H,9,11H2,1-2H3
InChIKeyYIQGKZPAORUOES-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.66
Rot. Bonds5

About 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile

4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 103202753) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID103202753
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCOCc1ccccc1NCc1cc(C#N)n(C)c1
InChIInChI=1S/C15H17N3O/c1-18-10-12(7-14(18)8-16)9-17-15-6-4-3-5-13(15)11-19-2/h3-7,10,17H,9,11H2,1-2H3
InChIKeyYIQGKZPAORUOES-UHFFFAOYSA-N
XLogP2.66
TPSA49.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(difluoromethylsulfanyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202488
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
4-[[(2-chloro-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202815
4-[(4-hydroxy-2-methylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203332
4-[(3-methoxy-2,4-dimethylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202971
4-[(2,4-dimethylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202443
4-[[(2-ethylphenyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203340
4-[(2-chloro-4-methylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202667
4-[(3,4-dimethoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202497
methyl 2-[(5-cyano-1-methylpyrrol-3-yl)methylamino]-5-methylbenzoate
CID 103202758
4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202449
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carbonitrile
CID 79613833

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile (CID 103202753) is 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile is COCc1ccccc1NCc1cc(C#N)n(C)c1.
What is the InChIKey of 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is YIQGKZPAORUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18-10-12(7-14(18)8-16)9-17-15-6-4-3-5-13(15)11-19-2/h3-7,10,17H,9,11H2,1-2H3.
What are the key properties of 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile?
4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 103202753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).