[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine

C19H19F3N2O — CID 174993371

IUPAC[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine
SMILESCC(C)c1cc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2[nH]1
InChIInChI=1S/C19H19F3N2O/c1-11(2)16-9-15-17(8-3-12(10-23)18(15)24-16)25-14-6-4-13(5-7-14)19(20,21)22/h3-9,11,24H,10,23H2,1-2H3
InChIKeyXYAVFICRIDUIFJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.56
Rot. Bonds4

About [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine

[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine (PubChem CID 174993371) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine.

Molecular Properties

Compound Name[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine
PubChem CID174993371
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine
SMILESCC(C)c1cc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2[nH]1
InChIInChI=1S/C19H19F3N2O/c1-11(2)16-9-15-17(8-3-12(10-23)18(15)24-16)25-14-6-4-13(5-7-14)19(20,21)22/h3-9,11,24H,10,23H2,1-2H3
InChIKeyXYAVFICRIDUIFJ-UHFFFAOYSA-N
XLogP5.56
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile
CID 174993086
5-(aminomethyl)-8-[4-(trifluoromethyl)phenoxy]-1H-quinolin-2-one
CID 135373649
[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine
CID 142503923
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
[3-methyl-8-[4-(trifluoromethyl)phenoxy]quinolin-5-yl]methanamine
CID 135373975
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43331214
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 63456891

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine?
The IUPAC name of [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine (CID 174993371) is [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine.
What is the SMILES notation for [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine?
The canonical SMILES for [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine is CC(C)c1cc2c(Oc3ccc(C(F)(F)F)cc3)ccc(CN)c2[nH]1.
What is the InChIKey of [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine?
The InChIKey is XYAVFICRIDUIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-11(2)16-9-15-17(8-3-12(10-23)18(15)24-16)25-14-6-4-13(5-7-14)19(20,21)22/h3-9,11,24H,10,23H2,1-2H3.
What are the key properties of [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine?
[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine has a molecular weight of 348.37 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indol-7-yl]methanamine is sourced from PubChem (CID 174993371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).