2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline

C15H11F3N2 — CID 102910790

IUPAC2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
SMILESFc1cc(F)c(F)c(NCc2cccc3cc[nH]c23)c1
InChIInChI=1S/C15H11F3N2/c16-11-6-12(17)14(18)13(7-11)20-8-10-3-1-2-9-4-5-19-15(9)10/h1-7,19-20H,8H2
InChIKeyXEOBFLPEMJNZJC-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.20
Rot. Bonds3

About 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline

2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline (PubChem CID 102910790) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
PubChem CID102910790
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
SMILESFc1cc(F)c(F)c(NCc2cccc3cc[nH]c23)c1
InChIInChI=1S/C15H11F3N2/c16-11-6-12(17)14(18)13(7-11)20-8-10-3-1-2-9-4-5-19-15(9)10/h1-7,19-20H,8H2
InChIKeyXEOBFLPEMJNZJC-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_1', 'substructure': 'N/A'}

Analyze 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
CID 63476657
4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102909203
2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
CID 102911136
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 112606802
2-bromo-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810492
N-(1H-indol-7-ylmethyl)-4-iodo-2-methylaniline
CID 102909688
2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline
CID 102911661
N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
CID 162548025
3-bromo-N-(1H-indol-7-ylmethyl)aniline
CID 113268158
4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 107788084
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
CID 103748728

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline?
The IUPAC name of 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline (CID 102910790) is 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline?
The canonical SMILES for 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline is Fc1cc(F)c(F)c(NCc2cccc3cc[nH]c23)c1.
What is the InChIKey of 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline?
The InChIKey is XEOBFLPEMJNZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-11-6-12(17)14(18)13(7-11)20-8-10-3-1-2-9-4-5-19-15(9)10/h1-7,19-20H,8H2.
What are the key properties of 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline?
2,3,5-trifluoro-N-(1H-indol-7-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 2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline is sourced from PubChem (CID 102910790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).