(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride

C9H13ClFNO — CID 126531407

IUPAC(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(F)c([C@@H](C)N)c1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-6(11)8-5-7(12-2)3-4-9(8)10;/h3-6H,11H2,1-2H3;1H/t6-;/m1./s1
InChIKeyNCSJECMMTDGRMS-FYZOBXCZSA-N
MW205.66 g/mol
LogP2.28
Rot. Bonds2

About (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride

(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 126531407) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
PubChem CID126531407
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(F)c([C@@H](C)N)c1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-6(11)8-5-7(12-2)3-4-9(8)10;/h3-6H,11H2,1-2H3;1H/t6-;/m1./s1
InChIKeyNCSJECMMTDGRMS-FYZOBXCZSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
(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
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
2-(1-bromoethyl)-1-fluoro-4-methoxybenzene
CID 130132946
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
(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)pentan-1-amine;hydrochloride
CID 171209636
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(2S)-2-amino-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 66510641
(1S)-4,4,4-trifluoro-1-(2-fluoro-5-methoxyphenyl)butan-1-amine;hydrochloride
CID 171229245

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride (CID 126531407) is (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride is COc1ccc(F)c([C@@H](C)N)c1.Cl.
What is the InChIKey of (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is NCSJECMMTDGRMS-FYZOBXCZSA-N. The full InChI is InChI=1S/C9H12FNO.ClH/c1-6(11)8-5-7(12-2)3-4-9(8)10;/h3-6H,11H2,1-2H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride?
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 205.66 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 126531407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).