N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

C20H19F3N2 — CID 176731995

IUPACN-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCN(CC=Cc1ccc(C(F)(F)F)cc1)Cc1cccc2[nH]ccc12
InChIInChI=1S/C20H19F3N2/c1-25(14-16-5-2-6-19-18(16)11-12-24-19)13-3-4-15-7-9-17(10-8-15)20(21,22)23/h2-12,24H,13-14H2,1H3
InChIKeyRXVFXTCSJPGEPY-UHFFFAOYSA-N
MW344.38 g/mol
LogP5.33
Rot. Bonds5

About N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 176731995) has the molecular formula C20H19F3N2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID176731995
Molecular FormulaC20H19F3N2
Molecular Weight344.38 g/mol
Exact Mass344.15
IUPAC NameN-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCN(CC=Cc1ccc(C(F)(F)F)cc1)Cc1cccc2[nH]ccc12
InChIInChI=1S/C20H19F3N2/c1-25(14-16-5-2-6-19-18(16)11-12-24-19)13-3-4-15-7-9-17(10-8-15)20(21,22)23/h2-12,24H,13-14H2,1H3
InChIKeyRXVFXTCSJPGEPY-UHFFFAOYSA-N
XLogP5.33
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 176731995) is N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is CN(CC=Cc1ccc(C(F)(F)F)cc1)Cc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is RXVFXTCSJPGEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2/c1-25(14-16-5-2-6-19-18(16)11-12-24-19)13-3-4-15-7-9-17(10-8-15)20(21,22)23/h2-12,24H,13-14H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 344.38 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 176731995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).