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

C17H26FN3 — CID 81199314

IUPAC2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
SMILESCN1CCCC2CN(C(CN)c3cccc(F)c3)CCC21
InChIInChI=1S/C17H26FN3/c1-20-8-3-5-14-12-21(9-7-16(14)20)17(11-19)13-4-2-6-15(18)10-13/h2,4,6,10,14,16-17H,3,5,7-9,11-12,19H2,1H3
InChIKeyIULRWOZUWMVHKI-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.24
Rot. Bonds3

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

2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine (PubChem CID 81199314) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
PubChem CID81199314
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
SMILESCN1CCCC2CN(C(CN)c3cccc(F)c3)CCC21
InChIInChI=1S/C17H26FN3/c1-20-8-3-5-14-12-21(9-7-16(14)20)17(11-19)13-4-2-6-15(18)10-13/h2,4,6,10,14,16-17H,3,5,7-9,11-12,19H2,1H3
InChIKeyIULRWOZUWMVHKI-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-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199156
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 60917996
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-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
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-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine (CID 81199314) is 2-(3-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-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine is CN1CCCC2CN(C(CN)c3cccc(F)c3)CCC21.
What is the InChIKey of 2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
The InChIKey is IULRWOZUWMVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-20-8-3-5-14-12-21(9-7-16(14)20)17(11-19)13-4-2-6-15(18)10-13/h2,4,6,10,14,16-17H,3,5,7-9,11-12,19H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine?
2-(3-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-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine is sourced from PubChem (CID 81199314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).