3,5-dimethyl-2-pyrrol-1-ylaniline

C12H14N2 — CID 82405753

IUPAC3,5-dimethyl-2-pyrrol-1-ylaniline
SMILESCc1cc(C)c(-n2cccc2)c(N)c1
InChIInChI=1S/C12H14N2/c1-9-7-10(2)12(11(13)8-9)14-5-3-4-6-14/h3-8H,13H2,1-2H3
InChIKeyUCOYMGCIKLXEER-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.68
Rot. Bonds1

About 3,5-dimethyl-2-pyrrol-1-ylaniline

3,5-dimethyl-2-pyrrol-1-ylaniline (PubChem CID 82405753) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3,5-dimethyl-2-pyrrol-1-ylaniline.

Molecular Properties

Compound Name3,5-dimethyl-2-pyrrol-1-ylaniline
PubChem CID82405753
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3,5-dimethyl-2-pyrrol-1-ylaniline
SMILESCc1cc(C)c(-n2cccc2)c(N)c1
InChIInChI=1S/C12H14N2/c1-9-7-10(2)12(11(13)8-9)14-5-3-4-6-14/h3-8H,13H2,1-2H3
InChIKeyUCOYMGCIKLXEER-UHFFFAOYSA-N
XLogP2.68
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-2-piperidin-1-ylaniline
CID 30029941
5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 62797360
1-(2-amino-4,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662651
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
cobalt;2,4,6-trimethylaniline
CID 159454360
1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
CID 122228843
3-chloro-5-methyl-2-piperidin-1-ylaniline
CID 45371565
3-methyl-4-pyrrol-1-ylaniline;hydrochloride
CID 46735979
2-amino-4,6-dimethylbenzaldehyde
CID 114553787
3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 39247652
4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride
CID 173073213

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-pyrrol-1-ylaniline?
The IUPAC name of 3,5-dimethyl-2-pyrrol-1-ylaniline (CID 82405753) is 3,5-dimethyl-2-pyrrol-1-ylaniline.
What is the SMILES notation for 3,5-dimethyl-2-pyrrol-1-ylaniline?
The canonical SMILES for 3,5-dimethyl-2-pyrrol-1-ylaniline is Cc1cc(C)c(-n2cccc2)c(N)c1.
What is the InChIKey of 3,5-dimethyl-2-pyrrol-1-ylaniline?
The InChIKey is UCOYMGCIKLXEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-7-10(2)12(11(13)8-9)14-5-3-4-6-14/h3-8H,13H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-pyrrol-1-ylaniline?
3,5-dimethyl-2-pyrrol-1-ylaniline has a molecular weight of 186.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-pyrrol-1-ylaniline is sourced from PubChem (CID 82405753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).