1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine

C15H24FNO2 — CID 103488905

IUPAC1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
SMILESCCOCC(C)Oc1cc(C)c(F)cc1C(C)NC
InChIInChI=1S/C15H24FNO2/c1-6-18-9-11(3)19-15-7-10(2)14(16)8-13(15)12(4)17-5/h7-8,11-12,17H,6,9H2,1-5H3
InChIKeyBEYAWTFFBUICKE-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.22
Rot. Bonds7

About 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine

1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine (PubChem CID 103488905) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
PubChem CID103488905
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
SMILESCCOCC(C)Oc1cc(C)c(F)cc1C(C)NC
InChIInChI=1S/C15H24FNO2/c1-6-18-9-11(3)19-15-7-10(2)14(16)8-13(15)12(4)17-5/h7-8,11-12,17H,6,9H2,1-5H3
InChIKeyBEYAWTFFBUICKE-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-cyclopropylethoxy)-5-fluoro-4-methylphenyl]-N-methylethanamine
CID 106202269
1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine
CID 103488796
N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103585345
2-[4-fluoro-N,5-dimethyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 113426082
4-(difluoromethoxy)-2-(1-ethoxypropan-2-yloxy)-5-fluoroaniline
CID 103486593
N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102994142
1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 107716918
1-[4-(1-ethoxypropan-2-yloxy)-3-fluorophenyl]ethanone
CID 103488725
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
4-(1-ethoxypropan-2-yloxy)-2-methylaniline
CID 103486534
[4-(1-ethoxypropan-2-yloxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 103486328
3-(1-ethoxypropan-2-yloxy)-N-methyl-2-nitroaniline
CID 103491567

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine (CID 103488905) is 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine is CCOCC(C)Oc1cc(C)c(F)cc1C(C)NC.
What is the InChIKey of 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine?
The InChIKey is BEYAWTFFBUICKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-6-18-9-11(3)19-15-7-10(2)14(16)8-13(15)12(4)17-5/h7-8,11-12,17H,6,9H2,1-5H3.
What are the key properties of 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine?
1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine has a molecular weight of 269.36 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxypropan-2-yloxy)-5-fluoro-4-methylphenyl]-N-methylethanamine is sourced from PubChem (CID 103488905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).