5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine

C18H16F3N3O — CID 167467676

IUPAC5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine
SMILESNc1c[nH]c2ccc(OC3CN(c4ccc(C(F)(F)F)cc4)C3)cc12
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)11-1-3-12(4-2-11)24-9-14(10-24)25-13-5-6-17-15(7-13)16(22)8-23-17/h1-8,14,23H,9-10,22H2
InChIKeySWSHSUQBRQUULG-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.04
Rot. Bonds3

About 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine

5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine (PubChem CID 167467676) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine
PubChem CID167467676
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine
SMILESNc1c[nH]c2ccc(OC3CN(c4ccc(C(F)(F)F)cc4)C3)cc12
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)11-1-3-12(4-2-11)24-9-14(10-24)25-13-5-6-17-15(7-13)16(22)8-23-17/h1-8,14,23H,9-10,22H2
InChIKeySWSHSUQBRQUULG-UHFFFAOYSA-N
XLogP4.04
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine?
The IUPAC name of 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine (CID 167467676) is 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine is Nc1c[nH]c2ccc(OC3CN(c4ccc(C(F)(F)F)cc4)C3)cc12.
What is the InChIKey of 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine?
The InChIKey is SWSHSUQBRQUULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c19-18(20,21)11-1-3-12(4-2-11)24-9-14(10-24)25-13-5-6-17-15(7-13)16(22)8-23-17/h1-8,14,23H,9-10,22H2.
What are the key properties of 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine?
5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine has a molecular weight of 347.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxy-1H-indol-3-amine is sourced from PubChem (CID 167467676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).