N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline

C17H12F6N2 — CID 162548025

IUPACN-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2cccc3cc[nH]c23)cc(C(F)(F)F)c1
InChIInChI=1S/C17H12F6N2/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)25-9-11-3-1-2-10-4-5-24-15(10)11/h1-8,24-25H,9H2
InChIKeyGGFSFQCKHFHSAG-UHFFFAOYSA-N
MW358.29 g/mol
LogP5.82
Rot. Bonds3

About N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline

N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline (PubChem CID 162548025) has the molecular formula C17H12F6N2 and a molecular weight of 358.29 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
PubChem CID162548025
Molecular FormulaC17H12F6N2
Molecular Weight358.29 g/mol
Exact Mass358.09
IUPAC NameN-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2cccc3cc[nH]c23)cc(C(F)(F)F)c1
InChIInChI=1S/C17H12F6N2/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)25-9-11-3-1-2-10-4-5-24-15(10)11/h1-8,24-25H,9H2
InChIKeyGGFSFQCKHFHSAG-UHFFFAOYSA-N
XLogP5.82
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.29
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
CID 102911136
N-(1H-indol-7-ylmethyl)quinolin-3-amine
CID 104624378
2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102910790
2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 103818948
4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102909203
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 102909422
4-chloro-N-(1H-indol-7-ylmethyl)-3-nitroaniline
CID 102909708
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173
N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine
CID 23578757
2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline
CID 102911661
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-3-(1H-indol-7-yl)urea
CID 166223789

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline (CID 162548025) is N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline is FC(F)(F)c1cc(NCc2cccc3cc[nH]c23)cc(C(F)(F)F)c1.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline?
The InChIKey is GGFSFQCKHFHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)25-9-11-3-1-2-10-4-5-24-15(10)11/h1-8,24-25H,9H2.
What are the key properties of N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline?
N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline has a molecular weight of 358.29 g/mol, XLogP of 5.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 162548025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).