N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine

C17H23FN2O — CID 141304473

IUPACN-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCc1c(CNCC2CCOCC2)n(C)c2c(F)cccc12
InChIInChI=1S/C17H23FN2O/c1-12-14-4-3-5-15(18)17(14)20(2)16(12)11-19-10-13-6-8-21-9-7-13/h3-5,13,19H,6-11H2,1-2H3
InChIKeyOQLPJICKSIEKCL-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.14
Rot. Bonds4

About N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine

N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 141304473) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID141304473
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCc1c(CNCC2CCOCC2)n(C)c2c(F)cccc12
InChIInChI=1S/C17H23FN2O/c1-12-14-4-3-5-15(18)17(14)20(2)16(12)11-19-10-13-6-8-21-9-7-13/h3-5,13,19H,6-11H2,1-2H3
InChIKeyOQLPJICKSIEKCL-UHFFFAOYSA-N
XLogP3.14
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine (CID 141304473) is N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine is Cc1c(CNCC2CCOCC2)n(C)c2c(F)cccc12.
What is the InChIKey of N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is OQLPJICKSIEKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-12-14-4-3-5-15(18)17(14)20(2)16(12)11-19-10-13-6-8-21-9-7-13/h3-5,13,19H,6-11H2,1-2H3.
What are the key properties of N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 290.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1,3-dimethylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 141304473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).