5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride

C17H16ClF3N2O — CID 167468068

IUPAC5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride
SMILESCl.Nc1c[nH]c2ccc(OCCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C17H15F3N2O.ClH/c18-17(19,20)12-3-1-11(2-4-12)7-8-23-13-5-6-16-14(9-13)15(21)10-22-16;/h1-6,9-10,22H,7-8,21H2;1H
InChIKeyKGEVCYACLRPQKN-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.81
Rot. Bonds4

About 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride

5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride (PubChem CID 167468068) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride
PubChem CID167468068
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride
SMILESCl.Nc1c[nH]c2ccc(OCCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C17H15F3N2O.ClH/c18-17(19,20)12-3-1-11(2-4-12)7-8-23-13-5-6-16-14(9-13)15(21)10-22-16;/h1-6,9-10,22H,7-8,21H2;1H
InChIKeyKGEVCYACLRPQKN-UHFFFAOYSA-N
XLogP4.81
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
CID 168986829
5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine
CID 167467676
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
CID 168986715
1-(2,2,2-trifluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468292
2-[(1R,2R)-2-cyanocyclopropyl]-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]acetamide
CID 167467986
1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468236
N-(3,3-difluorobutylsulfanyl)-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-amine
CID 168986982
4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
CID 162518072
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793
[3-(3-amino-1H-indol-5-yl)phenyl]methanol;4-(trifluoromethyl)aniline
CID 156720608

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride?
The IUPAC name of 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride (CID 167468068) is 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride.
What is the SMILES notation for 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride?
The canonical SMILES for 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride is Cl.Nc1c[nH]c2ccc(OCCc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride?
The InChIKey is KGEVCYACLRPQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O.ClH/c18-17(19,20)12-3-1-11(2-4-12)7-8-23-13-5-6-16-14(9-13)15(21)10-22-16;/h1-6,9-10,22H,7-8,21H2;1H.
What are the key properties of 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride?
5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride has a molecular weight of 356.78 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride is sourced from PubChem (CID 167468068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).