4-(1,2-dimethylindol-5-yl)aniline

C16H16N2 — CID 116996411

IUPAC4-(1,2-dimethylindol-5-yl)aniline
SMILESCc1cc2cc(-c3ccc(N)cc3)ccc2n1C
InChIInChI=1S/C16H16N2/c1-11-9-14-10-13(5-8-16(14)18(11)2)12-3-6-15(17)7-4-12/h3-10H,17H2,1-2H3
InChIKeyNMLIOIPZHNFHFB-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.74
Rot. Bonds1

About 4-(1,2-dimethylindol-5-yl)aniline

4-(1,2-dimethylindol-5-yl)aniline (PubChem CID 116996411) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(1,2-dimethylindol-5-yl)aniline.

Molecular Properties

Compound Name4-(1,2-dimethylindol-5-yl)aniline
PubChem CID116996411
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4-(1,2-dimethylindol-5-yl)aniline
SMILESCc1cc2cc(-c3ccc(N)cc3)ccc2n1C
InChIInChI=1S/C16H16N2/c1-11-9-14-10-13(5-8-16(14)18(11)2)12-3-6-15(17)7-4-12/h3-10H,17H2,1-2H3
InChIKeyNMLIOIPZHNFHFB-UHFFFAOYSA-N
XLogP3.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1,2-dimethylindol-5-yl)aniline?
The IUPAC name of 4-(1,2-dimethylindol-5-yl)aniline (CID 116996411) is 4-(1,2-dimethylindol-5-yl)aniline.
What is the SMILES notation for 4-(1,2-dimethylindol-5-yl)aniline?
The canonical SMILES for 4-(1,2-dimethylindol-5-yl)aniline is Cc1cc2cc(-c3ccc(N)cc3)ccc2n1C.
What is the InChIKey of 4-(1,2-dimethylindol-5-yl)aniline?
The InChIKey is NMLIOIPZHNFHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-9-14-10-13(5-8-16(14)18(11)2)12-3-6-15(17)7-4-12/h3-10H,17H2,1-2H3.
What are the key properties of 4-(1,2-dimethylindol-5-yl)aniline?
4-(1,2-dimethylindol-5-yl)aniline has a molecular weight of 236.32 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylindol-5-yl)aniline is sourced from PubChem (CID 116996411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).