(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine

C9H12FNO — CID 55253284

IUPAC(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)c([C@H](C)N)c1
InChIInChI=1S/C9H12FNO/c1-6(11)8-5-7(12-2)3-4-9(8)10/h3-6H,11H2,1-2H3/t6-/m0/s1
InChIKeyLZMCMJPOUFQZFR-LURJTMIESA-N
MW169.20 g/mol
LogP1.85
Rot. Bonds2

About (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine

(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine (PubChem CID 55253284) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
PubChem CID55253284
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)c([C@H](C)N)c1
InChIInChI=1S/C9H12FNO/c1-6(11)8-5-7(12-2)3-4-9(8)10/h3-6H,11H2,1-2H3/t6-/m0/s1
InChIKeyLZMCMJPOUFQZFR-LURJTMIESA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
2-(1-bromoethyl)-1-fluoro-4-methoxybenzene
CID 130132946
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
1-(2-fluoro-5-methoxyphenyl)ethylhydrazine
CID 83808299
(1R)-1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209640
(1R)-2,2,2-trifluoro-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 171242886
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
(1S,2R)-1-amino-1-(2-fluoro-5-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171161491
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine (CID 55253284) is (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine is COc1ccc(F)c([C@H](C)N)c1.
What is the InChIKey of (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine?
The InChIKey is LZMCMJPOUFQZFR-LURJTMIESA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(11)8-5-7(12-2)3-4-9(8)10/h3-6H,11H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine?
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine has a molecular weight of 169.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine is sourced from PubChem (CID 55253284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).