4-[2-(2-methylindol-1-yl)ethyl]aniline

C17H18N2 — CID 43519624

IUPAC4-[2-(2-methylindol-1-yl)ethyl]aniline
SMILESCc1cc2ccccc2n1CCc1ccc(N)cc1
InChIInChI=1S/C17H18N2/c1-13-12-15-4-2-3-5-17(15)19(13)11-10-14-6-8-16(18)9-7-14/h2-9,12H,10-11,18H2,1H3
InChIKeyVIPQFKLLUUHLOH-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.77
Rot. Bonds3

About 4-[2-(2-methylindol-1-yl)ethyl]aniline

4-[2-(2-methylindol-1-yl)ethyl]aniline (PubChem CID 43519624) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[2-(2-methylindol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(2-methylindol-1-yl)ethyl]aniline
PubChem CID43519624
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name4-[2-(2-methylindol-1-yl)ethyl]aniline
SMILESCc1cc2ccccc2n1CCc1ccc(N)cc1
InChIInChI=1S/C17H18N2/c1-13-12-15-4-2-3-5-17(15)19(13)11-10-14-6-8-16(18)9-7-14/h2-9,12H,10-11,18H2,1H3
InChIKeyVIPQFKLLUUHLOH-UHFFFAOYSA-N
XLogP3.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.77
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-[2-(2-methylindol-1-yl)ethyl]aniline?
The IUPAC name of 4-[2-(2-methylindol-1-yl)ethyl]aniline (CID 43519624) is 4-[2-(2-methylindol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[2-(2-methylindol-1-yl)ethyl]aniline?
The canonical SMILES for 4-[2-(2-methylindol-1-yl)ethyl]aniline is Cc1cc2ccccc2n1CCc1ccc(N)cc1.
What is the InChIKey of 4-[2-(2-methylindol-1-yl)ethyl]aniline?
The InChIKey is VIPQFKLLUUHLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13-12-15-4-2-3-5-17(15)19(13)11-10-14-6-8-16(18)9-7-14/h2-9,12H,10-11,18H2,1H3.
What are the key properties of 4-[2-(2-methylindol-1-yl)ethyl]aniline?
4-[2-(2-methylindol-1-yl)ethyl]aniline has a molecular weight of 250.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylindol-1-yl)ethyl]aniline is sourced from PubChem (CID 43519624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).