2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

C17H25FN2O — CID 62134810

IUPAC2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CCOC2CCCCC21
InChIInChI=1S/C17H25FN2O/c1-12-10-13(18)6-7-14(12)16(11-19)20-8-9-21-17-5-3-2-4-15(17)20/h6-7,10,15-17H,2-5,8-9,11,19H2,1H3
InChIKeyBNOBSULSZMZFGN-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.78
Rot. Bonds3

About 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 62134810) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID62134810
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CCOC2CCCCC21
InChIInChI=1S/C17H25FN2O/c1-12-10-13(18)6-7-14(12)16(11-19)20-8-9-21-17-5-3-2-4-15(17)20/h6-7,10,15-17H,2-5,8-9,11,19H2,1H3
InChIKeyBNOBSULSZMZFGN-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-5-fluorophenol
CID 82985649
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524308
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,4-difluorophenyl)ethanamine
CID 102725786
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(2,5-dimethylmorpholin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62135309
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62135825
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
CID 102838907
2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62134804
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(3-chloro-4-methoxyphenyl)ethanamine
CID 65022016
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569546
2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136337

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 62134810) is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(CN)N1CCOC2CCCCC21.
What is the InChIKey of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is BNOBSULSZMZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12-10-13(18)6-7-14(12)16(11-19)20-8-9-21-17-5-3-2-4-15(17)20/h6-7,10,15-17H,2-5,8-9,11,19H2,1H3.
What are the key properties of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 62134810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).