2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine

C14H17FN2O — CID 162388864

IUPAC2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine
SMILESCOc1cc2c(ccn2C2CC2N(C)C)cc1F
InChIInChI=1S/C14H17FN2O/c1-16(2)12-7-13(12)17-5-4-9-6-10(15)14(18-3)8-11(9)17/h4-6,8,12-13H,7H2,1-3H3
InChIKeyRJGNQEMUOANTSX-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.66
Rot. Bonds3

About 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine

2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine (PubChem CID 162388864) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine
PubChem CID162388864
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine
SMILESCOc1cc2c(ccn2C2CC2N(C)C)cc1F
InChIInChI=1S/C14H17FN2O/c1-16(2)12-7-13(12)17-5-4-9-6-10(15)14(18-3)8-11(9)17/h4-6,8,12-13H,7H2,1-3H3
InChIKeyRJGNQEMUOANTSX-UHFFFAOYSA-N
XLogP2.66
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine?
The IUPAC name of 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine (CID 162388864) is 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine.
What is the SMILES notation for 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine?
The canonical SMILES for 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine is COc1cc2c(ccn2C2CC2N(C)C)cc1F.
What is the InChIKey of 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine?
The InChIKey is RJGNQEMUOANTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-16(2)12-7-13(12)17-5-4-9-6-10(15)14(18-3)8-11(9)17/h4-6,8,12-13H,7H2,1-3H3.
What are the key properties of 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine?
2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine has a molecular weight of 248.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine is sourced from PubChem (CID 162388864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).