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

C26H25F3N2 — CID 21087524

IUPACN-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine
SMILESCCn1cc(-c2ccc(C(F)(F)F)cc2)c2cc(CNC(C)c3ccccc3)ccc21
InChIInChI=1S/C26H25F3N2/c1-3-31-17-24(21-10-12-22(13-11-21)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
InChIKeyQOOFPXVQJFVTQV-UHFFFAOYSA-N
MW422.49 g/mol
LogP7.20
Rot. Bonds6

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

N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine (PubChem CID 21087524) has the molecular formula C26H25F3N2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine
PubChem CID21087524
Molecular FormulaC26H25F3N2
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine
SMILESCCn1cc(-c2ccc(C(F)(F)F)cc2)c2cc(CNC(C)c3ccccc3)ccc21
InChIInChI=1S/C26H25F3N2/c1-3-31-17-24(21-10-12-22(13-11-21)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
InChIKeyQOOFPXVQJFVTQV-UHFFFAOYSA-N
XLogP7.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 58803196
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 21087523
N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087525
(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
CID 25214114
(1R)-N-[[4-(2-methoxyethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
CID 10387924
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66414353
(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 58803173
(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28541344
1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 112831409
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
3-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]benzonitrile
CID 42955451
1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
CID 142869598

Frequently Asked Questions

What is the IUPAC name of N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine (CID 21087524) is N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine is CCn1cc(-c2ccc(C(F)(F)F)cc2)c2cc(CNC(C)c3ccccc3)ccc21.
What is the InChIKey of N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
The InChIKey is QOOFPXVQJFVTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2/c1-3-31-17-24(21-10-12-22(13-11-21)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-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine?
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine has a molecular weight of 422.49 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 21087524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).