2-chloro-4-(1H-indol-2-yl)aniline

C14H11ClN2 — CID 150315319

IUPAC2-chloro-4-(1H-indol-2-yl)aniline
SMILESNc1ccc(-c2cc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H11ClN2/c15-11-7-10(5-6-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H,16H2
InChIKeyGMMGZHLRSRFHTE-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.07
Rot. Bonds1

About 2-chloro-4-(1H-indol-2-yl)aniline

2-chloro-4-(1H-indol-2-yl)aniline (PubChem CID 150315319) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-4-(1H-indol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-4-(1H-indol-2-yl)aniline
PubChem CID150315319
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-chloro-4-(1H-indol-2-yl)aniline
SMILESNc1ccc(-c2cc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H11ClN2/c15-11-7-10(5-6-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H,16H2
InChIKeyGMMGZHLRSRFHTE-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

4-(1H-indol-2-yl)phenol
CID 11287260
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
3-(1H-indol-2-yl)acridine
CID 151493055
N-[2-chloro-5-(1H-indol-2-yl)phenyl]benzenesulfonamide
CID 69471636
4-(1H-indol-2-yl)benzenethiol;methanol
CID 160504693
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
5-(5-chloro-1H-indol-2-yl)-2-methylaniline
CID 39358848
2-(3-bromo-4-methoxyphenyl)-1H-indole
CID 82050099
ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 143223648
2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 170570589
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
2,4-dichloro-6-(1H-indol-2-yl)phenol
CID 142650101

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-indol-2-yl)aniline?
The IUPAC name of 2-chloro-4-(1H-indol-2-yl)aniline (CID 150315319) is 2-chloro-4-(1H-indol-2-yl)aniline.
What is the SMILES notation for 2-chloro-4-(1H-indol-2-yl)aniline?
The canonical SMILES for 2-chloro-4-(1H-indol-2-yl)aniline is Nc1ccc(-c2cc3ccccc3[nH]2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1H-indol-2-yl)aniline?
The InChIKey is GMMGZHLRSRFHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-11-7-10(5-6-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H,16H2.
What are the key properties of 2-chloro-4-(1H-indol-2-yl)aniline?
2-chloro-4-(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 2-chloro-4-(1H-indol-2-yl)aniline is sourced from PubChem (CID 150315319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).