2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine

C13H19BrFNO2 — CID 103524211

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine
SMILESCOc1ccc(C(F)(CN)C(C)C)c(OC)c1Br
InChIInChI=1S/C13H19BrFNO2/c1-8(2)13(15,7-16)9-5-6-10(17-3)11(14)12(9)18-4/h5-6,8H,7,16H2,1-4H3
InChIKeyLHBRJJTYPKBHDU-UHFFFAOYSA-N
MW320.20 g/mol
LogP3.25
Rot. Bonds5

About 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine

2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine (PubChem CID 103524211) has the molecular formula C13H19BrFNO2 and a molecular weight of 320.20 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine
PubChem CID103524211
Molecular FormulaC13H19BrFNO2
Molecular Weight320.20 g/mol
Exact Mass319.06
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine
SMILESCOc1ccc(C(F)(CN)C(C)C)c(OC)c1Br
InChIInChI=1S/C13H19BrFNO2/c1-8(2)13(15,7-16)9-5-6-10(17-3)11(14)12(9)18-4/h5-6,8H,7,16H2,1-4H3
InChIKeyLHBRJJTYPKBHDU-UHFFFAOYSA-N
XLogP3.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
CID 103524213
2-fluoro-2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 112566851
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)-3,3,3-trifluoropropanoic acid
CID 103523841
2-(2,3-difluoro-4-methylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 107514807
2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
CID 103523035
[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine
CID 171019511
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
CID 103522937
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
tert-butyl 2-(3-bromo-2,4-dimethoxyphenyl)propanoate
CID 103523778

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine (CID 103524211) is 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine is COc1ccc(C(F)(CN)C(C)C)c(OC)c1Br.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine?
The InChIKey is LHBRJJTYPKBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO2/c1-8(2)13(15,7-16)9-5-6-10(17-3)11(14)12(9)18-4/h5-6,8H,7,16H2,1-4H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine?
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine has a molecular weight of 320.20 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 103524211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).