N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine

C16H23FN2O — CID 166673590

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine
SMILESCN(Cc1ccc(F)cc1)C1CCN2CCOCC2C1
InChIInChI=1S/C16H23FN2O/c1-18(11-13-2-4-14(17)5-3-13)15-6-7-19-8-9-20-12-16(19)10-15/h2-5,15-16H,6-12H2,1H3
InChIKeyJWHWHHBSVKYQNH-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.12
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine

N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine (PubChem CID 166673590) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine
PubChem CID166673590
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine
SMILESCN(Cc1ccc(F)cc1)C1CCN2CCOCC2C1
InChIInChI=1S/C16H23FN2O/c1-18(11-13-2-4-14(17)5-3-13)15-6-7-19-8-9-20-12-16(19)10-15/h2-5,15-16H,6-12H2,1H3
InChIKeyJWHWHHBSVKYQNH-UHFFFAOYSA-N
XLogP2.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765509
2-(1-Benzylpiperidin-4-yl)-4-ethylmorpholine
CID 129053792
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CID 201939
2-[4-[1-[(2-Fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 762881
2-{4-[1-(4-Fluorobenzyl)piperidin-4-yl]piperazin-1-yl}ethanol
CID 1121660
N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1-(2-fluorobenzyl)-3-piperidinamine
CID 45238596
(5R,6R,9R,13S)-7-[(4-fluorophenyl)methyl]-6-(4-methoxybutyl)-1,7-diazatricyclo[7.3.1.05,13]tridecane
CID 90676716
(5R,6R,9R,13S)-6-(4-ethoxybutyl)-7-[(4-fluorophenyl)methyl]-1,7-diazatricyclo[7.3.1.05,13]tridecane
CID 90676717
9-[(4-Fluorophenyl)methyl]-1-methylsulfonyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97372209
1-[1-[(4-Fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine (CID 166673590) is N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine is CN(Cc1ccc(F)cc1)C1CCN2CCOCC2C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine?
The InChIKey is JWHWHHBSVKYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-18(11-13-2-4-14(17)5-3-13)15-6-7-19-8-9-20-12-16(19)10-15/h2-5,15-16H,6-12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine has a molecular weight of 278.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-amine is sourced from PubChem (CID 166673590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).