N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine

C15H17F3N2 — CID 64567360

IUPACN-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CCn1ccc2c(CNC3CC3)cccc21
InChIInChI=1S/C15H17F3N2/c16-15(17,18)7-9-20-8-6-13-11(2-1-3-14(13)20)10-19-12-4-5-12/h1-3,6,8,12,19H,4-5,7,9-10H2
InChIKeyCWQMTXNIVWMCSO-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.85
Rot. Bonds5

About N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine

N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine (PubChem CID 64567360) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine
PubChem CID64567360
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CCn1ccc2c(CNC3CC3)cccc21
InChIInChI=1S/C15H17F3N2/c16-15(17,18)7-9-20-8-6-13-11(2-1-3-14(13)20)10-19-12-4-5-12/h1-3,6,8,12,19H,4-5,7,9-10H2
InChIKeyCWQMTXNIVWMCSO-UHFFFAOYSA-N
XLogP3.85
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol
CID 64566330
N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine
CID 82870272
[1-(4,4,4-trifluorobutyl)indol-4-yl]methanol
CID 113326659
1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
CID 107918977
N-[[3-bromo-2-(4,4,4-trifluorobutoxy)phenyl]methyl]cyclopropanamine
CID 115513176
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
[1-(2-cyclopropylethyl)indol-4-yl]methanamine
CID 107919256
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
4-fluoro-1-(4,4,4-trifluorobutyl)indole
CID 82792819
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
CID 107918855
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine (CID 64567360) is N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine is FC(F)(F)CCn1ccc2c(CNC3CC3)cccc21.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine?
The InChIKey is CWQMTXNIVWMCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c16-15(17,18)7-9-20-8-6-13-11(2-1-3-14(13)20)10-19-12-4-5-12/h1-3,6,8,12,19H,4-5,7,9-10H2.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine?
N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine has a molecular weight of 282.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64567360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).