(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine

C11H16FNO2 — CID 95001932

IUPAC(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCO[C@H](CN)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-3-15-11(7-13)8-4-5-10(14-2)9(12)6-8/h4-6,11H,3,7,13H2,1-2H3/t11-/m1/s1
InChIKeyIVOIHIYKZJBGGG-LLVKDONJSA-N
MW213.25 g/mol
LogP1.87
Rot. Bonds5

About (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine

(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 95001932) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID95001932
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCO[C@H](CN)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-3-15-11(7-13)8-4-5-10(14-2)9(12)6-8/h4-6,11H,3,7,13H2,1-2H3/t11-/m1/s1
InChIKeyIVOIHIYKZJBGGG-LLVKDONJSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
CID 66072986
2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine
CID 81155936
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
N-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65383483
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 95001932) is (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine is CCO[C@H](CN)c1ccc(OC)c(F)c1.
What is the InChIKey of (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is IVOIHIYKZJBGGG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-3-15-11(7-13)8-4-5-10(14-2)9(12)6-8/h4-6,11H,3,7,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine?
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 213.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 95001932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).