N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine

C17H25FN2O — CID 103502519

IUPACN-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCc3ccc(F)cc32)CCOCC1
InChIInChI=1S/C17H25FN2O/c1-2-19-12-17(6-9-21-10-7-17)13-20-8-5-14-3-4-15(18)11-16(14)20/h3-4,11,19H,2,5-10,12-13H2,1H3
InChIKeyUAZACSRZULDHFC-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.59
Rot. Bonds5

About N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 103502519) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID103502519
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCc3ccc(F)cc32)CCOCC1
InChIInChI=1S/C17H25FN2O/c1-2-19-12-17(6-9-21-10-7-17)13-20-8-5-14-3-4-15(18)11-16(14)20/h3-4,11,19H,2,5-10,12-13H2,1H3
InChIKeyUAZACSRZULDHFC-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol
CID 103504369
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
6-fluoro-1-[(3-propylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
CID 103497238
N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 107557641
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-methyloxolan-3-amine
CID 103497186
1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 103502456
N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
CID 103503085
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
N-[[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390425
N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 103503117

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine (CID 103502519) is N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCc3ccc(F)cc32)CCOCC1.
What is the InChIKey of N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is UAZACSRZULDHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-19-12-17(6-9-21-10-7-17)13-20-8-5-14-3-4-15(18)11-16(14)20/h3-4,11,19H,2,5-10,12-13H2,1H3.
What are the key properties of N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 103502519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).