N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

C19H19F3N2O — CID 119109923

IUPACN-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESFC(F)(F)COCc1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)13-25-12-15-6-4-14(5-7-15)10-23-11-16-2-1-3-18-17(16)8-9-24-18/h1-9,23-24H,10-13H2
InChIKeyBMQNJWAUDJPRDA-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.54
Rot. Bonds7

About N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (PubChem CID 119109923) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
PubChem CID119109923
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESFC(F)(F)COCc1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)13-25-12-15-6-4-14(5-7-15)10-23-11-16-2-1-3-18-17(16)8-9-24-18/h1-9,23-24H,10-13H2
InChIKeyBMQNJWAUDJPRDA-UHFFFAOYSA-N
XLogP4.54
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine
CID 119110696
N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 18269145
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119110268
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 119110260
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one
CID 119110221
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea
CID 119110190
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62443882

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (CID 119109923) is N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is FC(F)(F)COCc1ccc(CNCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The InChIKey is BMQNJWAUDJPRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)13-25-12-15-6-4-14(5-7-15)10-23-11-16-2-1-3-18-17(16)8-9-24-18/h1-9,23-24H,10-13H2.
What are the key properties of N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine has a molecular weight of 348.37 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 119109923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).