N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine

C26H25F3N2O — CID 22391391

IUPACN-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2)cc1-c1ccc2c(ccn2CC(F)(F)F)c1
InChIInChI=1S/C26H25F3N2O/c1-18(20-6-4-3-5-7-20)30-16-19-8-11-25(32-2)23(14-19)21-9-10-24-22(15-21)12-13-31(24)17-26(27,28)29/h3-15,18,30H,16-17H2,1-2H3
InChIKeyBKIKBPDETUMXMG-UHFFFAOYSA-N
MW438.49 g/mol
LogP6.73
Rot. Bonds7

About N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine

N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine (PubChem CID 22391391) has the molecular formula C26H25F3N2O and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine
PubChem CID22391391
Molecular FormulaC26H25F3N2O
Molecular Weight438.49 g/mol
Exact Mass438.19
IUPAC NameN-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2)cc1-c1ccc2c(ccn2CC(F)(F)F)c1
InChIInChI=1S/C26H25F3N2O/c1-18(20-6-4-3-5-7-20)30-16-19-8-11-25(32-2)23(14-19)21-9-10-24-22(15-21)12-13-31(24)17-26(27,28)29/h3-15,18,30H,16-17H2,1-2H3
InChIKeyBKIKBPDETUMXMG-UHFFFAOYSA-N
XLogP6.73
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 ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine with MolForge

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Related Compounds

O-Methylbufotenine
CID 1832
Idalopirdine
CID 21071390
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
GR 46611
CID 6160690
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
5-methoxy-N-methyl-N-(1-methylethyl)-1H-Indole-3-ethanamine
CID 2763156

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine (CID 22391391) is N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine is COc1ccc(CNC(C)c2ccccc2)cc1-c1ccc2c(ccn2CC(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine?
The InChIKey is BKIKBPDETUMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O/c1-18(20-6-4-3-5-7-20)30-16-19-8-11-25(32-2)23(14-19)21-9-10-24-22(15-21)12-13-31(24)17-26(27,28)29/h3-15,18,30H,16-17H2,1-2H3.
What are the key properties of N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine?
N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine has a molecular weight of 438.49 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[1-(2,2,2-trifluoroethyl)indol-5-yl]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 22391391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).