2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine

C13H19BrFNO2 — CID 103524213

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C13H19BrFNO2/c1-4-7-13(15,8-16)9-5-6-10(17-2)11(14)12(9)18-3/h5-6H,4,7-8,16H2,1-3H3
InChIKeySRHTUSRJLGSTFU-UHFFFAOYSA-N
MW320.20 g/mol
LogP3.39
Rot. Bonds6

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

2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine (PubChem CID 103524213) 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-fluoropentan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
PubChem CID103524213
Molecular FormulaC13H19BrFNO2
Molecular Weight320.20 g/mol
Exact Mass319.06
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C13H19BrFNO2/c1-4-7-13(15,8-16)9-5-6-10(17-2)11(14)12(9)18-3/h5-6H,4,7-8,16H2,1-3H3
InChIKeySRHTUSRJLGSTFU-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 53.39
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-fluoro-3-methylbutan-1-amine
CID 103524211
2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
CID 103523035
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)-3,3,3-trifluoropropanoic acid
CID 103523841
2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol
CID 103524091
[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine
CID 171019511
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
2-(4-ethylphenyl)-2-fluoropentan-1-amine
CID 112567836
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
CID 103522937
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
(E)-3-(3-bromo-2,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117432746

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine (CID 103524213) is 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine is CCCC(F)(CN)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine?
The InChIKey is SRHTUSRJLGSTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO2/c1-4-7-13(15,8-16)9-5-6-10(17-2)11(14)12(9)18-3/h5-6H,4,7-8,16H2,1-3H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine?
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine has a molecular weight of 320.20 g/mol, XLogP of 3.39, 6 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-fluoropentan-1-amine is sourced from PubChem (CID 103524213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).