2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C17H25FN2O — CID 82752173

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCC3CCCCC32)cc1F
InChIInChI=1S/C17H25FN2O/c1-21-17-7-6-13(10-14(17)18)16(11-19)20-9-8-12-4-2-3-5-15(12)20/h6-7,10,12,15-16H,2-5,8-9,11,19H2,1H3
InChIKeyNHTYHITXBBSZBB-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.10
Rot. Bonds4

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 82752173) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID82752173
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCC3CCCCC32)cc1F
InChIInChI=1S/C17H25FN2O/c1-21-17-7-6-13(10-14(17)18)16(11-19)20-9-8-12-4-2-3-5-15(12)20/h6-7,10,12,15-16H,2-5,8-9,11,19H2,1H3
InChIKeyNHTYHITXBBSZBB-UHFFFAOYSA-N
XLogP3.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65319130
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
CID 43628049
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817511
2-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 82747736
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 82747752
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65319110
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1,3-benzodioxol-5-yl)ethanamine
CID 82752184
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474433
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(3-chloro-4-methoxyphenyl)ethanamine
CID 65022016

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 82752173) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(CN)N2CCC3CCCCC32)cc1F.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is NHTYHITXBBSZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-17-7-6-13(10-14(17)18)16(11-19)20-9-8-12-4-2-3-5-15(12)20/h6-7,10,12,15-16H,2-5,8-9,11,19H2,1H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 292.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 82752173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).