(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride

C11H17ClFNO2 — CID 171210798

IUPAC(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
SMILESCCOc1cc([C@H](N)CF)ccc1OC.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-3-15-11-6-8(9(13)7-12)4-5-10(11)14-2;/h4-6,9H,3,7,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyAGLAOASEYYZIAJ-SBSPUUFOSA-N
MW249.71 g/mol
LogP2.48
Rot. Bonds5

About (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride

(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171210798) has the molecular formula C11H17ClFNO2 and a molecular weight of 249.71 g/mol. Its IUPAC name is (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171210798
Molecular FormulaC11H17ClFNO2
Molecular Weight249.71 g/mol
Exact Mass249.09
IUPAC Name(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
SMILESCCOc1cc([C@H](N)CF)ccc1OC.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-3-15-11-6-8(9(13)7-12)4-5-10(11)14-2;/h4-6,9H,3,7,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyAGLAOASEYYZIAJ-SBSPUUFOSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propanenitrile;hydrochloride
CID 171260571
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride (CID 171210798) is (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride is CCOc1cc([C@H](N)CF)ccc1OC.Cl.
What is the InChIKey of (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is AGLAOASEYYZIAJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H16FNO2.ClH/c1-3-15-11-6-8(9(13)7-12)4-5-10(11)14-2;/h4-6,9H,3,7,13H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride?
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 249.71 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171210798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).