4-(5-methyl-1H-indol-2-yl)aniline

C15H14N2 — CID 15322512

IUPAC4-(5-methyl-1H-indol-2-yl)aniline
SMILESCc1ccc2[nH]c(-c3ccc(N)cc3)cc2c1
InChIInChI=1S/C15H14N2/c1-10-2-7-14-12(8-10)9-15(17-14)11-3-5-13(16)6-4-11/h2-9,17H,16H2,1H3
InChIKeyWOIMVNBIDXASJK-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.73
Rot. Bonds1

About 4-(5-methyl-1H-indol-2-yl)aniline

4-(5-methyl-1H-indol-2-yl)aniline (PubChem CID 15322512) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(5-methyl-1H-indol-2-yl)aniline.

Molecular Properties

Compound Name4-(5-methyl-1H-indol-2-yl)aniline
PubChem CID15322512
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(5-methyl-1H-indol-2-yl)aniline
SMILESCc1ccc2[nH]c(-c3ccc(N)cc3)cc2c1
InChIInChI=1S/C15H14N2/c1-10-2-7-14-12(8-10)9-15(17-14)11-3-5-13(16)6-4-11/h2-9,17H,16H2,1H3
InChIKeyWOIMVNBIDXASJK-UHFFFAOYSA-N
XLogP3.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-indol-2-yl)aniline?
The IUPAC name of 4-(5-methyl-1H-indol-2-yl)aniline (CID 15322512) is 4-(5-methyl-1H-indol-2-yl)aniline.
What is the SMILES notation for 4-(5-methyl-1H-indol-2-yl)aniline?
The canonical SMILES for 4-(5-methyl-1H-indol-2-yl)aniline is Cc1ccc2[nH]c(-c3ccc(N)cc3)cc2c1.
What is the InChIKey of 4-(5-methyl-1H-indol-2-yl)aniline?
The InChIKey is WOIMVNBIDXASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-10-2-7-14-12(8-10)9-15(17-14)11-3-5-13(16)6-4-11/h2-9,17H,16H2,1H3.
What are the key properties of 4-(5-methyl-1H-indol-2-yl)aniline?
4-(5-methyl-1H-indol-2-yl)aniline has a molecular weight of 222.29 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-indol-2-yl)aniline is sourced from PubChem (CID 15322512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).