4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline

C15H12ClFN2 — CID 43169100

IUPAC4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
SMILESNc1ccc(Cl)c(Cn2ccc3ccc(F)cc32)c1
InChIInChI=1S/C15H12ClFN2/c16-14-4-3-13(18)7-11(14)9-19-6-5-10-1-2-12(17)8-15(10)19/h1-8H,9,18H2
InChIKeyCVIAXCXOHBNPRD-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.06
Rot. Bonds2

About 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline

4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline (PubChem CID 43169100) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
PubChem CID43169100
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
SMILESNc1ccc(Cl)c(Cn2ccc3ccc(F)cc32)c1
InChIInChI=1S/C15H12ClFN2/c16-14-4-3-13(18)7-11(14)9-19-6-5-10-1-2-12(17)8-15(10)19/h1-8H,9,18H2
InChIKeyCVIAXCXOHBNPRD-UHFFFAOYSA-N
XLogP4.06
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline?
The IUPAC name of 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline (CID 43169100) is 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline?
The canonical SMILES for 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline is Nc1ccc(Cl)c(Cn2ccc3ccc(F)cc32)c1.
What is the InChIKey of 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline?
The InChIKey is CVIAXCXOHBNPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-14-4-3-13(18)7-11(14)9-19-6-5-10-1-2-12(17)8-15(10)19/h1-8H,9,18H2.
What are the key properties of 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline?
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline has a molecular weight of 274.73 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline is sourced from PubChem (CID 43169100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).