1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine

C16H24FNO2 — CID 105035512

IUPAC1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCOc1cccc(CC(N)CCC2CCCCO2)c1F
InChIInChI=1S/C16H24FNO2/c1-19-15-7-4-5-12(16(15)17)11-13(18)8-9-14-6-2-3-10-20-14/h4-5,7,13-14H,2-3,6,8-11,18H2,1H3
InChIKeyWUOUXCFIQXZNHK-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.05
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine

1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine (PubChem CID 105035512) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
PubChem CID105035512
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCOc1cccc(CC(N)CCC2CCCCO2)c1F
InChIInChI=1S/C16H24FNO2/c1-19-15-7-4-5-12(16(15)17)11-13(18)8-9-14-6-2-3-10-20-14/h4-5,7,13-14H,2-3,6,8-11,18H2,1H3
InChIKeyWUOUXCFIQXZNHK-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115817102
[1-(2-fluoro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105329262
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 105035624
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105035660
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(2-fluoro-3-methoxyphenyl)-4-propoxybutan-2-amine
CID 105180608
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine (CID 105035512) is 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine is COc1cccc(CC(N)CCC2CCCCO2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine?
The InChIKey is WUOUXCFIQXZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-19-15-7-4-5-12(16(15)17)11-13(18)8-9-14-6-2-3-10-20-14/h4-5,7,13-14H,2-3,6,8-11,18H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 105035512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).