N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine

C16H15F5N2O — CID 171649822

IUPACN-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine
SMILESCOC1CCc2c(Nc3cc(F)c(C(F)(F)F)cc3F)c[nH]c2C1
InChIInChI=1S/C16H15F5N2O/c1-24-8-2-3-9-13(4-8)22-7-15(9)23-14-6-11(17)10(5-12(14)18)16(19,20)21/h5-8,22-23H,2-4H2,1H3
InChIKeySDJLOJSWWVWRSM-UHFFFAOYSA-N
MW346.30 g/mol
LogP4.56
Rot. Bonds3

About N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine

N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine (PubChem CID 171649822) has the molecular formula C16H15F5N2O and a molecular weight of 346.30 g/mol. Its IUPAC name is N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine.

Molecular Properties

Compound NameN-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine
PubChem CID171649822
Molecular FormulaC16H15F5N2O
Molecular Weight346.30 g/mol
Exact Mass346.11
IUPAC NameN-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine
SMILESCOC1CCc2c(Nc3cc(F)c(C(F)(F)F)cc3F)c[nH]c2C1
InChIInChI=1S/C16H15F5N2O/c1-24-8-2-3-9-13(4-8)22-7-15(9)23-14-6-11(17)10(5-12(14)18)16(19,20)21/h5-8,22-23H,2-4H2,1H3
InChIKeySDJLOJSWWVWRSM-UHFFFAOYSA-N
XLogP4.56
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine?
The IUPAC name of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine (CID 171649822) is N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine.
What is the SMILES notation for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine?
The canonical SMILES for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine is COC1CCc2c(Nc3cc(F)c(C(F)(F)F)cc3F)c[nH]c2C1.
What is the InChIKey of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine?
The InChIKey is SDJLOJSWWVWRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N2O/c1-24-8-2-3-9-13(4-8)22-7-15(9)23-14-6-11(17)10(5-12(14)18)16(19,20)21/h5-8,22-23H,2-4H2,1H3.
What are the key properties of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine?
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine has a molecular weight of 346.30 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-6-methoxy-4,5,6,7-tetrahydro-1H-indol-3-amine is sourced from PubChem (CID 171649822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).