5-(5-chloro-1H-indol-2-yl)-2-methylaniline

C15H13ClN2 — CID 39358848

IUPAC5-(5-chloro-1H-indol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1N
InChIInChI=1S/C15H13ClN2/c1-9-2-3-10(7-13(9)17)15-8-11-6-12(16)4-5-14(11)18-15/h2-8,18H,17H2,1H3
InChIKeyVYOPOPBAPRUSLB-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.38
Rot. Bonds1

About 5-(5-chloro-1H-indol-2-yl)-2-methylaniline

5-(5-chloro-1H-indol-2-yl)-2-methylaniline (PubChem CID 39358848) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-(5-chloro-1H-indol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(5-chloro-1H-indol-2-yl)-2-methylaniline
PubChem CID39358848
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name5-(5-chloro-1H-indol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1N
InChIInChI=1S/C15H13ClN2/c1-9-2-3-10(7-13(9)17)15-8-11-6-12(16)4-5-14(11)18-15/h2-8,18H,17H2,1H3
InChIKeyVYOPOPBAPRUSLB-UHFFFAOYSA-N
XLogP4.38
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.38
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 5-(5-chloro-1H-indol-2-yl)-2-methylaniline?
The IUPAC name of 5-(5-chloro-1H-indol-2-yl)-2-methylaniline (CID 39358848) is 5-(5-chloro-1H-indol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(5-chloro-1H-indol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(5-chloro-1H-indol-2-yl)-2-methylaniline is Cc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1N.
What is the InChIKey of 5-(5-chloro-1H-indol-2-yl)-2-methylaniline?
The InChIKey is VYOPOPBAPRUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-9-2-3-10(7-13(9)17)15-8-11-6-12(16)4-5-14(11)18-15/h2-8,18H,17H2,1H3.
What are the key properties of 5-(5-chloro-1H-indol-2-yl)-2-methylaniline?
5-(5-chloro-1H-indol-2-yl)-2-methylaniline has a molecular weight of 256.74 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1H-indol-2-yl)-2-methylaniline is sourced from PubChem (CID 39358848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).