4-(1H-indol-2-yl)-N-methylaniline

C15H14N2 — CID 116995134

IUPAC4-(1H-indol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h2-10,16-17H,1H3
InChIKeyZPVYIKFQFHGDFD-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.88
Rot. Bonds2

About 4-(1H-indol-2-yl)-N-methylaniline

4-(1H-indol-2-yl)-N-methylaniline (PubChem CID 116995134) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-N-methylaniline
PubChem CID116995134
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(1H-indol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h2-10,16-17H,1H3
InChIKeyZPVYIKFQFHGDFD-UHFFFAOYSA-N
XLogP3.88
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-N-methylaniline?
The IUPAC name of 4-(1H-indol-2-yl)-N-methylaniline (CID 116995134) is 4-(1H-indol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(1H-indol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(1H-indol-2-yl)-N-methylaniline is CNc1ccc(-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-indol-2-yl)-N-methylaniline?
The InChIKey is ZPVYIKFQFHGDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h2-10,16-17H,1H3.
What are the key properties of 4-(1H-indol-2-yl)-N-methylaniline?
4-(1H-indol-2-yl)-N-methylaniline has a molecular weight of 222.29 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-N-methylaniline is sourced from PubChem (CID 116995134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).