2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine

C17H26FN3 — CID 81199156

IUPAC2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
SMILESCN1CCCC2CN(C(CN)c3ccccc3F)CCC21
InChIInChI=1S/C17H26FN3/c1-20-9-4-5-13-12-21(10-8-16(13)20)17(11-19)14-6-2-3-7-15(14)18/h2-3,6-7,13,16-17H,4-5,8-12,19H2,1H3
InChIKeyQXOCZTDITPZRDP-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine

2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine (PubChem CID 81199156) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
PubChem CID81199156
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
SMILESCN1CCCC2CN(C(CN)c3ccccc3F)CCC21
InChIInChI=1S/C17H26FN3/c1-20-9-4-5-13-12-21(10-8-16(13)20)17(11-19)14-6-2-3-7-15(14)18/h2-3,6-7,13,16-17H,4-5,8-12,19H2,1H3
InChIKeyQXOCZTDITPZRDP-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199314
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 81198317
2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199449
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585183
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
CID 104711109
2-(2,3-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63669105
2-[2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]ethanamine
CID 81200394
[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine
CID 114960156
3-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-amine
CID 81198022
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 65319085

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine (CID 81199156) is 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine is CN1CCCC2CN(C(CN)c3ccccc3F)CCC21.
What is the InChIKey of 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The InChIKey is QXOCZTDITPZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-20-9-4-5-13-12-21(10-8-16(13)20)17(11-19)14-6-2-3-7-15(14)18/h2-3,6-7,13,16-17H,4-5,8-12,19H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine has a molecular weight of 291.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine is sourced from PubChem (CID 81199156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).