(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride

C12H19ClFNO — CID 171201759

IUPAC(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1cccc(F)c1OC.Cl
InChIInChI=1S/C12H18FNO.ClH/c1-4-8(2)11(14)9-6-5-7-10(13)12(9)15-3;/h5-8,11H,4,14H2,1-3H3;1H/t8?,11-;/m1./s1
InChIKeyUCFGEUZDEOTYHP-GILAUPEISA-N
MW247.74 g/mol
LogP3.30
Rot. Bonds4

About (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride

(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171201759) has the molecular formula C12H19ClFNO and a molecular weight of 247.74 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171201759
Molecular FormulaC12H19ClFNO
Molecular Weight247.74 g/mol
Exact Mass247.11
IUPAC Name(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1cccc(F)c1OC.Cl
InChIInChI=1S/C12H18FNO.ClH/c1-4-8(2)11(14)9-6-5-7-10(13)12(9)15-3;/h5-8,11H,4,14H2,1-3H3;1H/t8?,11-;/m1./s1
InChIKeyUCFGEUZDEOTYHP-GILAUPEISA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
CID 171261502
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
CID 171267207
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
(1S)-1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171231048
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
(1S)-3-fluoro-1-(3-fluoro-2-methoxyphenyl)propan-1-amine
CID 171221280
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
CID 139609928

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride (CID 171201759) is (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1cccc(F)c1OC.Cl.
What is the InChIKey of (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is UCFGEUZDEOTYHP-GILAUPEISA-N. The full InChI is InChI=1S/C12H18FNO.ClH/c1-4-8(2)11(14)9-6-5-7-10(13)12(9)15-3;/h5-8,11H,4,14H2,1-3H3;1H/t8?,11-;/m1./s1.
What are the key properties of (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 247.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171201759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).