4-(indol-1-ylmethyl)aniline

C15H14N2 — CID 19779451

IUPAC4-(indol-1-ylmethyl)aniline
SMILESNc1ccc(Cn2ccc3ccccc32)cc1
InChIInChI=1S/C15H14N2/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-10H,11,16H2
InChIKeyCRNJIXJRSKNGTP-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.27
Rot. Bonds2

About 4-(indol-1-ylmethyl)aniline

4-(indol-1-ylmethyl)aniline (PubChem CID 19779451) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(indol-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-(indol-1-ylmethyl)aniline
PubChem CID19779451
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(indol-1-ylmethyl)aniline
SMILESNc1ccc(Cn2ccc3ccccc32)cc1
InChIInChI=1S/C15H14N2/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-10H,11,16H2
InChIKeyCRNJIXJRSKNGTP-UHFFFAOYSA-N
XLogP3.27
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(indol-1-ylmethyl)aniline?
The IUPAC name of 4-(indol-1-ylmethyl)aniline (CID 19779451) is 4-(indol-1-ylmethyl)aniline.
What is the SMILES notation for 4-(indol-1-ylmethyl)aniline?
The canonical SMILES for 4-(indol-1-ylmethyl)aniline is Nc1ccc(Cn2ccc3ccccc32)cc1.
What is the InChIKey of 4-(indol-1-ylmethyl)aniline?
The InChIKey is CRNJIXJRSKNGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-10H,11,16H2.
What are the key properties of 4-(indol-1-ylmethyl)aniline?
4-(indol-1-ylmethyl)aniline has a molecular weight of 222.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(indol-1-ylmethyl)aniline is sourced from PubChem (CID 19779451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).