3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline

C12H14N2O — CID 141243307

IUPAC3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1ccc(C)[nH]1
InChIInChI=1S/C12H14N2O/c1-8-3-6-11(14-8)10-5-4-9(13)7-12(10)15-2/h3-7,14H,13H2,1-2H3
InChIKeyRUHUIWUQGDBIKQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.58
Rot. Bonds2

About 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline

3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline (PubChem CID 141243307) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline
PubChem CID141243307
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1ccc(C)[nH]1
InChIInChI=1S/C12H14N2O/c1-8-3-6-11(14-8)10-5-4-9(13)7-12(10)15-2/h3-7,14H,13H2,1-2H3
InChIKeyRUHUIWUQGDBIKQ-UHFFFAOYSA-N
XLogP2.58
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
CID 82078942
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
4-bromo-3-methoxyaniline;iron
CID 158491783
2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 82086470
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 82472146
3-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469943
2-amino-8-(4-amino-2-methoxyphenyl)-1,7-dihydropurin-6-one
CID 136829863
5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one
CID 174508815
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
4-(6-bromo-1H-benzimidazol-2-yl)-3-methoxyaniline
CID 107209077
3-methoxy-4-(4-phenoxyphenyl)aniline
CID 57279676
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline?
The IUPAC name of 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline (CID 141243307) is 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline?
The canonical SMILES for 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline is COc1cc(N)ccc1-c1ccc(C)[nH]1.
What is the InChIKey of 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline?
The InChIKey is RUHUIWUQGDBIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-3-6-11(14-8)10-5-4-9(13)7-12(10)15-2/h3-7,14H,13H2,1-2H3.
What are the key properties of 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline?
3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline has a molecular weight of 202.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline is sourced from PubChem (CID 141243307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).