3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine

C13H15F3N2O — CID 103366538

IUPAC3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine
SMILESCOc1ccc2c(ccn2CC(CN)C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O/c1-19-11-2-3-12-9(6-11)4-5-18(12)8-10(7-17)13(14,15)16/h2-6,10H,7-8,17H2,1H3
InChIKeyIOEMFZGHXQEABF-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.79
Rot. Bonds4

About 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine (PubChem CID 103366538) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine
PubChem CID103366538
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine
SMILESCOc1ccc2c(ccn2CC(CN)C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O/c1-19-11-2-3-12-9(6-11)4-5-18(12)8-10(7-17)13(14,15)16/h2-6,10H,7-8,17H2,1H3
InChIKeyIOEMFZGHXQEABF-UHFFFAOYSA-N
XLogP2.79
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
(2R)-2-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762038
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol
CID 178146609
1-(5-methoxyindol-1-yl)propan-2-yl methanesulfonate
CID 10684389
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
5-methoxy-1-(4-methylpentan-2-yl)indole
CID 102339927
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869
5-methoxy-1-prop-2-ynylindole
CID 45091362
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine (CID 103366538) is 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine is COc1ccc2c(ccn2CC(CN)C(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine?
The InChIKey is IOEMFZGHXQEABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-19-11-2-3-12-9(6-11)4-5-18(12)8-10(7-17)13(14,15)16/h2-6,10H,7-8,17H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine has a molecular weight of 272.27 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 103366538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).