2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine

C12H18FNO2 — CID 107170775

IUPAC2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)Oc1ccc(C)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-9-4-5-10(6-12(9)13)16-11(7-14-2)8-15-3/h4-6,11,14H,7-8H2,1-3H3
InChIKeyDAILDGBCEZVYFE-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.75
Rot. Bonds6

About 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine

2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine (PubChem CID 107170775) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
PubChem CID107170775
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)Oc1ccc(C)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-9-4-5-10(6-12(9)13)16-11(7-14-2)8-15-3/h4-6,11,14H,7-8H2,1-3H3
InChIKeyDAILDGBCEZVYFE-UHFFFAOYSA-N
XLogP1.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
CID 107171064
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228797
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874
2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
CID 82727583
2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228708
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
CID 103228959
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine (CID 107170775) is 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine is CNCC(COC)Oc1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is DAILDGBCEZVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-9-4-5-10(6-12(9)13)16-11(7-14-2)8-15-3/h4-6,11,14H,7-8H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine?
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 107170775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).