N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline

C16H13F3N2 — CID 102909173

IUPACN-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H13F3N2/c17-16(18,19)13-2-1-3-14(9-13)21-10-11-4-5-12-6-7-20-15(12)8-11/h1-9,20-21H,10H2
InChIKeyJZMMNVPWYFKYHG-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.80
Rot. Bonds3

About N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline

N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 102909173) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID102909173
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC NameN-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C16H13F3N2/c17-16(18,19)13-2-1-3-14(9-13)21-10-11-4-5-12-6-7-20-15(12)8-11/h1-9,20-21H,10H2
InChIKeyJZMMNVPWYFKYHG-UHFFFAOYSA-N
XLogP4.80
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-6-ylmethyl)aniline
CID 29012556
N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 81143843
N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 59803892
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-[(4-propan-2-ylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 29270698
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
CID 102909680
3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988
3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline
CID 102909401
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
CID 102909269
6-[[3-(trifluoromethyl)anilino]methyl]-1H-pyrimidine-2,4-dione
CID 134101628

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline (CID 102909173) is N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NCc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is JZMMNVPWYFKYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c17-16(18,19)13-2-1-3-14(9-13)21-10-11-4-5-12-6-7-20-15(12)8-11/h1-9,20-21H,10H2.
What are the key properties of N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline?
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 290.29 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 102909173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).