N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine

C26H25F3N2O — CID 21087522

IUPACN-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
SMILESCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CNC(C)c3ccccc3)ccc21
InChIInChI=1S/C26H25F3N2O/c1-3-31-17-24(21-10-12-22(13-11-21)32-26(27,28)29)23-15-19(9-14-25(23)31)16-30-18(2)20-7-5-4-6-8-20/h4-15,17-18,30H,3,16H2,1-2H3
InChIKeyYZHJJJQHBYBNFQ-UHFFFAOYSA-N
MW438.49 g/mol
LogP7.08
Rot. Bonds7

About N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine

N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine (PubChem CID 21087522) has the molecular formula C26H25F3N2O and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
PubChem CID21087522
Molecular FormulaC26H25F3N2O
Molecular Weight438.49 g/mol
Exact Mass438.19
IUPAC NameN-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
SMILESCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CNC(C)c3ccccc3)ccc21
InChIInChI=1S/C26H25F3N2O/c1-3-31-17-24(21-10-12-22(13-11-21)32-26(27,28)29)23-15-19(9-14-25(23)31)16-30-18(2)20-7-5-4-6-8-20/h4-15,17-18,30H,3,16H2,1-2H3
InChIKeyYZHJJJQHBYBNFQ-UHFFFAOYSA-N
XLogP7.08
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine 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-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine (CID 21087522) is N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine is CCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CNC(C)c3ccccc3)ccc21.
What is the InChIKey of N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The InChIKey is YZHJJJQHBYBNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O/c1-3-31-17-24(21-10-12-22(13-11-21)32-26(27,28)29)23-15-19(9-14-25(23)31)16-30-18(2)20-7-5-4-6-8-20/h4-15,17-18,30H,3,16H2,1-2H3.
What are the key properties of N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine has a molecular weight of 438.49 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 21087522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).