(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine

C11H16FNO3 — CID 28820340

IUPAC(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc([C@@H](N)CF)cc(OC)c1OC
InChIInChI=1S/C11H16FNO3/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8H,6,13H2,1-3H3/t8-/m0/s1
InChIKeyWYIRHSHNPBGLRE-QMMMGPOBSA-N
MW229.25 g/mol
LogP1.68
Rot. Bonds5

About (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine

(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 28820340) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID28820340
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc([C@@H](N)CF)cc(OC)c1OC
InChIInChI=1S/C11H16FNO3/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8H,6,13H2,1-3H3/t8-/m0/s1
InChIKeyWYIRHSHNPBGLRE-QMMMGPOBSA-N
XLogP1.68
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-3,3-difluoro-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 171312849
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
(3S)-3-amino-3-(3,4,5-trimethoxyphenyl)propanenitrile
CID 95452478
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
(3S)-3-amino-3-(3,4,5-trimethoxyphenyl)propanenitrile;hydrochloride
CID 171259839
(1S)-1-(3,4,5-trimethoxyphenyl)pent-4-en-1-amine
CID 171219154
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 28820340) is (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc([C@@H](N)CF)cc(OC)c1OC.
What is the InChIKey of (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is WYIRHSHNPBGLRE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8H,6,13H2,1-3H3/t8-/m0/s1.
What are the key properties of (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine?
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 229.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 28820340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).