(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine

C12H19FN2O — CID 78938210

IUPAC(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1OCCN(C)C
InChIInChI=1S/C12H19FN2O/c1-9(14)12-10(13)5-4-6-11(12)16-8-7-15(2)3/h4-6,9H,7-8,14H2,1-3H3/t9-/m0/s1
InChIKeyVCXCCZQQFMVVKV-VIFPVBQESA-N
MW226.29 g/mol
LogP1.79
Rot. Bonds5

About (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine

(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine (PubChem CID 78938210) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
PubChem CID78938210
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1OCCN(C)C
InChIInChI=1S/C12H19FN2O/c1-9(14)12-10(13)5-4-6-11(12)16-8-7-15(2)3/h4-6,9H,7-8,14H2,1-3H3/t9-/m0/s1
InChIKeyVCXCCZQQFMVVKV-VIFPVBQESA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
CID 78938385
(1S)-1-[2-fluoro-6-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006428
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
(1S)-1-[2-fluoro-6-(2-methylpentoxy)phenyl]ethanamine
CID 103284039
(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823809
1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 43128559
N-[2-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740253
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine
CID 102722399

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine (CID 78938210) is (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine is C[C@H](N)c1c(F)cccc1OCCN(C)C.
What is the InChIKey of (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine?
The InChIKey is VCXCCZQQFMVVKV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(14)12-10(13)5-4-6-11(12)16-8-7-15(2)3/h4-6,9H,7-8,14H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine?
(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine has a molecular weight of 226.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine is sourced from PubChem (CID 78938210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).