2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine

C14H22FNO3 — CID 107524139

IUPAC2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCOCC(C)OCC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO3/c1-4-18-8-10(2)19-9-13(16)11-5-6-14(17-3)12(15)7-11/h5-7,10,13H,4,8-9,16H2,1-3H3
InChIKeyUHNCXTWAMSTZQA-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.28
Rot. Bonds8

About 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine

2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 107524139) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID107524139
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCOCC(C)OCC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO3/c1-4-18-8-10(2)19-9-13(16)11-5-6-14(17-3)12(15)7-11/h5-7,10,13H,4,8-9,16H2,1-3H3
InChIKeyUHNCXTWAMSTZQA-UHFFFAOYSA-N
XLogP2.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
2-(3,3-dimethylbutoxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107523803
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 116934854
ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
CID 62941655

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 107524139) is 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine is CCOCC(C)OCC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is UHNCXTWAMSTZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-4-18-8-10(2)19-9-13(16)11-5-6-14(17-3)12(15)7-11/h5-7,10,13H,4,8-9,16H2,1-3H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 271.33 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 107524139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).