N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline

C16H15F3N2 — CID 80650265

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2cccc3c2NCC3)cc1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-4-6-14(7-5-13)21-10-12-3-1-2-11-8-9-20-15(11)12/h1-7,20-21H,8-10H2
InChIKeyMTUHCRCOCKVZDN-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.29
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline

N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 80650265) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
PubChem CID80650265
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2cccc3c2NCC3)cc1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-4-6-14(7-5-13)21-10-12-3-1-2-11-8-9-20-15(11)12/h1-7,20-21H,8-10H2
InChIKeyMTUHCRCOCKVZDN-UHFFFAOYSA-N
XLogP4.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,3-dihydro-1H-indol-7-ylmethylamino)phenyl]acetonitrile
CID 80650196
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 114093179
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905
5-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 80648539
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
CID 80650139
N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine
CID 80649324
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649779
4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649456

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline (CID 80650265) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCc2cccc3c2NCC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is MTUHCRCOCKVZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)13-4-6-14(7-5-13)21-10-12-3-1-2-11-8-9-20-15(11)12/h1-7,20-21H,8-10H2.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 292.30 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 80650265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).