(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine

C13H20FNO2 — CID 171214001

IUPAC(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C13H20FNO2/c1-5-8(2)13(15)9-6-11(16-3)12(17-4)7-10(9)14/h6-8,13H,5,15H2,1-4H3/t8?,13-/m1/s1
InChIKeyHYYAQHIKSMGPHM-AZMWARKLSA-N
MW241.31 g/mol
LogP2.89
Rot. Bonds5

About (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine

(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine (PubChem CID 171214001) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
PubChem CID171214001
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C13H20FNO2/c1-5-8(2)13(15)9-6-11(16-3)12(17-4)7-10(9)14/h6-8,13H,5,15H2,1-4H3/t8?,13-/m1/s1
InChIKeyHYYAQHIKSMGPHM-AZMWARKLSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 62867105
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)-2-methylbutan-1-amine
CID 171213477
1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 79742752
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
(1R)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171204039
4-[(1S)-1-amino-2-methylbutyl]-2,3-dibromo-6-methoxyphenol
CID 171235148
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
5-(2-fluoro-4,5-dimethoxyphenyl)heptane-2,3-diol
CID 83922798
(S)-diethoxyphosphoryl-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 171191962
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
CID 62865686
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171213964

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine (CID 171214001) is (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1cc(OC)c(OC)cc1F.
What is the InChIKey of (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is HYYAQHIKSMGPHM-AZMWARKLSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-5-8(2)13(15)9-6-11(16-3)12(17-4)7-10(9)14/h6-8,13H,5,15H2,1-4H3/t8?,13-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine?
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 171214001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).