1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine

C13H20FNO2 — CID 105122103

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
SMILESCOc1ccc(CC(N)COC(C)C)cc1F
InChIInChI=1S/C13H20FNO2/c1-9(2)17-8-11(15)6-10-4-5-13(16-3)12(14)7-10/h4-5,7,9,11H,6,8,15H2,1-3H3
InChIKeyGXXBYJQVVKVIOG-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.13
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine

1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105122103) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
PubChem CID105122103
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
SMILESCOc1ccc(CC(N)COC(C)C)cc1F
InChIInChI=1S/C13H20FNO2/c1-9(2)17-8-11(15)6-10-4-5-13(16-3)12(14)7-10/h4-5,7,9,11H,6,8,15H2,1-3H3
InChIKeyGXXBYJQVVKVIOG-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-bromo-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105110880
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(4-chlorophenoxy)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 105122004
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine (CID 105122103) is 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine is COc1ccc(CC(N)COC(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is GXXBYJQVVKVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(2)17-8-11(15)6-10-4-5-13(16-3)12(14)7-10/h4-5,7,9,11H,6,8,15H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105122103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).