2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline

C15H11F3N2 — CID 102909199

IUPAC2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
SMILESFc1ccc(NCc2ccc3[nH]ccc3c2)c(F)c1F
InChIInChI=1S/C15H11F3N2/c16-11-2-4-13(15(18)14(11)17)20-8-9-1-3-12-10(7-9)5-6-19-12/h1-7,19-20H,8H2
InChIKeyWZTKSUKJFYGFSK-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.20
Rot. Bonds3

About 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline

2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline (PubChem CID 102909199) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
PubChem CID102909199
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
SMILESFc1ccc(NCc2ccc3[nH]ccc3c2)c(F)c1F
InChIInChI=1S/C15H11F3N2/c16-11-2-4-13(15(18)14(11)17)20-8-9-1-3-12-10(7-9)5-6-19-12/h1-7,19-20H,8H2
InChIKeyWZTKSUKJFYGFSK-UHFFFAOYSA-N
XLogP4.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline
CID 107631753
5-bromo-2,4-difluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102912272
2-fluoro-N-(1H-indol-5-ylmethyl)-5-nitroaniline
CID 102909701
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 102911718
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
N-[(3,4-dichlorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28546142
3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline
CID 102909401
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline
CID 102910483
N-(1H-indol-5-ylmethyl)-1H-indazol-4-amine
CID 102910187

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline (CID 102909199) is 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline is Fc1ccc(NCc2ccc3[nH]ccc3c2)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline?
The InChIKey is WZTKSUKJFYGFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-11-2-4-13(15(18)14(11)17)20-8-9-1-3-12-10(7-9)5-6-19-12/h1-7,19-20H,8H2.
What are the key properties of 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline?
2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline has a molecular weight of 276.26 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline is sourced from PubChem (CID 102909199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).