3-(5-chloro-1H-indol-2-yl)aniline

C14H11ClN2 — CID 39347249

IUPAC3-(5-chloro-1H-indol-2-yl)aniline
SMILESNc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C14H11ClN2/c15-11-4-5-13-10(6-11)8-14(17-13)9-2-1-3-12(16)7-9/h1-8,17H,16H2
InChIKeyRJXALRCSZCVBMG-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.07
Rot. Bonds1

About 3-(5-chloro-1H-indol-2-yl)aniline

3-(5-chloro-1H-indol-2-yl)aniline (PubChem CID 39347249) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-2-yl)aniline.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-2-yl)aniline
PubChem CID39347249
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name3-(5-chloro-1H-indol-2-yl)aniline
SMILESNc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C14H11ClN2/c15-11-4-5-13-10(6-11)8-14(17-13)9-2-1-3-12(16)7-9/h1-8,17H,16H2
InChIKeyRJXALRCSZCVBMG-UHFFFAOYSA-N
XLogP4.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1H-indol-2-yl)benzoyl chloride
CID 20556621
5-(5-chloro-1H-indol-2-yl)-2-methylaniline
CID 39358848
3-(3-chlorophenyl)aniline;hydrochloride
CID 2757424
N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
CID 20970846
2-(5-chloro-1H-indol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 137185111
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914
5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694477
5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
CID 136985780
3-(6-chloroquinolin-2-yl)aniline
CID 44569223
5-(3-chlorophenyl)-1H-pyrrol-2-amine
CID 117222744
5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole
CID 162717915
2-chloro-4-(1H-indol-2-yl)aniline
CID 150315319

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-2-yl)aniline?
The IUPAC name of 3-(5-chloro-1H-indol-2-yl)aniline (CID 39347249) is 3-(5-chloro-1H-indol-2-yl)aniline.
What is the SMILES notation for 3-(5-chloro-1H-indol-2-yl)aniline?
The canonical SMILES for 3-(5-chloro-1H-indol-2-yl)aniline is Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of 3-(5-chloro-1H-indol-2-yl)aniline?
The InChIKey is RJXALRCSZCVBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-11-4-5-13-10(6-11)8-14(17-13)9-2-1-3-12(16)7-9/h1-8,17H,16H2.
What are the key properties of 3-(5-chloro-1H-indol-2-yl)aniline?
3-(5-chloro-1H-indol-2-yl)aniline has a molecular weight of 242.71 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-2-yl)aniline is sourced from PubChem (CID 39347249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).