1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine

C18H17F3N2O — CID 70844875

IUPAC1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine
SMILESCCn1c(-c2ccc(OC)cc2)c(N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H17F3N2O/c1-3-23-15-10-12(18(19,20)21)6-9-14(15)16(22)17(23)11-4-7-13(24-2)8-5-11/h4-10H,3,22H2,1-2H3
InChIKeyQNMCFJBPJGOXKM-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.94
Rot. Bonds3

About 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine

1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine (PubChem CID 70844875) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine.

Molecular Properties

Compound Name1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine
PubChem CID70844875
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine
SMILESCCn1c(-c2ccc(OC)cc2)c(N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H17F3N2O/c1-3-23-15-10-12(18(19,20)21)6-9-14(15)16(22)17(23)11-4-7-13(24-2)8-5-11/h4-10H,3,22H2,1-2H3
InChIKeyQNMCFJBPJGOXKM-UHFFFAOYSA-N
XLogP4.94
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine?
The IUPAC name of 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine (CID 70844875) is 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine.
What is the SMILES notation for 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine?
The canonical SMILES for 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine is CCn1c(-c2ccc(OC)cc2)c(N)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine?
The InChIKey is QNMCFJBPJGOXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-3-23-15-10-12(18(19,20)21)6-9-14(15)16(22)17(23)11-4-7-13(24-2)8-5-11/h4-10H,3,22H2,1-2H3.
What are the key properties of 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine?
1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine has a molecular weight of 334.34 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine is sourced from PubChem (CID 70844875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).