1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine

C13H17FN2 — CID 117173709

IUPAC1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
SMILESCNCc1cc2c(F)cccc2n1C(C)C
InChIInChI=1S/C13H17FN2/c1-9(2)16-10(8-15-3)7-11-12(14)5-4-6-13(11)16/h4-7,9,15H,8H2,1-3H3
InChIKeyLDFCNLBRWYPKNE-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.08
Rot. Bonds3

About 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine

1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine (PubChem CID 117173709) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
PubChem CID117173709
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
SMILESCNCc1cc2c(F)cccc2n1C(C)C
InChIInChI=1S/C13H17FN2/c1-9(2)16-10(8-15-3)7-11-12(14)5-4-6-13(11)16/h4-7,9,15H,8H2,1-3H3
InChIKeyLDFCNLBRWYPKNE-UHFFFAOYSA-N
XLogP3.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine (CID 117173709) is 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine is CNCc1cc2c(F)cccc2n1C(C)C.
What is the InChIKey of 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine?
The InChIKey is LDFCNLBRWYPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-9(2)16-10(8-15-3)7-11-12(14)5-4-6-13(11)16/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine?
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine has a molecular weight of 220.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 117173709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).