4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile

C14H14ClN3O — CID 100769987

IUPAC4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile
SMILESCc1c(N)cc(C#N)n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-10-14(17)8-12(9-16)18(10)6-7-19-13-4-2-11(15)3-5-13/h2-5,8H,6-7,17H2,1H3
InChIKeyREGXISKNOJIBTG-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile

4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile (PubChem CID 100769987) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile
PubChem CID100769987
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile
SMILESCc1c(N)cc(C#N)n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-10-14(17)8-12(9-16)18(10)6-7-19-13-4-2-11(15)3-5-13/h2-5,8H,6-7,17H2,1H3
InChIKeyREGXISKNOJIBTG-UHFFFAOYSA-N
XLogP2.98
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-pentylpyrrole-2-carbonitrile
CID 100770010
4-amino-5-[(4-chlorophenyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
CID 100769931
4-amino-5-[(3-chlorophenyl)methyl]-1-[2-(4-methylphenoxy)ethyl]pyrrole-2-carbonitrile
CID 100769736
1-[2-(4-chlorophenoxy)ethyl]-3,5-dimethylpyrrole-2-carbonitrile
CID 84616542
4-amino-1-[2-(4-methoxyphenoxy)ethyl]-5-(2-methylpropyl)pyrrole-2-carbonitrile
CID 100769894
4-amino-5-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrole-2-carbonitrile
CID 100767755
4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773744
4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774574
2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile
CID 54949070
1-[2-(4-chlorophenoxy)ethyl]-2-N,2-N-dimethylbenzimidazole-2,5-diamine
CID 118858593
2-[2-(4-chlorophenoxy)ethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 8537992
1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
CID 39768066

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile (CID 100769987) is 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile is Cc1c(N)cc(C#N)n1CCOc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile?
The InChIKey is REGXISKNOJIBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-14(17)8-12(9-16)18(10)6-7-19-13-4-2-11(15)3-5-13/h2-5,8H,6-7,17H2,1H3.
What are the key properties of 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile?
4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile has a molecular weight of 275.74 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 100769987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).