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

C14H21BrFNO2 — CID 103524210

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(F)(CN)C(C)(C)C)c(OC)c1Br
InChIInChI=1S/C14H21BrFNO2/c1-13(2,3)14(16,8-17)9-6-7-10(18-4)11(15)12(9)19-5/h6-7H,8,17H2,1-5H3
InChIKeyZIACXUJJAMIIPU-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.64
Rot. Bonds4

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

2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 103524210) has the molecular formula C14H21BrFNO2 and a molecular weight of 334.23 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID103524210
Molecular FormulaC14H21BrFNO2
Molecular Weight334.23 g/mol
Exact Mass333.07
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(F)(CN)C(C)(C)C)c(OC)c1Br
InChIInChI=1S/C14H21BrFNO2/c1-13(2,3)14(16,8-17)9-6-7-10(18-4)11(15)12(9)19-5/h6-7H,8,17H2,1-5H3
InChIKeyZIACXUJJAMIIPU-UHFFFAOYSA-N
XLogP3.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
CID 103524213
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
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 103522997
[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine
CID 171019511
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
CID 103522937
(E)-3-(3-bromo-2,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117432746
1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103523429
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine (CID 103524210) is 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine is COc1ccc(C(F)(CN)C(C)(C)C)c(OC)c1Br.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is ZIACXUJJAMIIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO2/c1-13(2,3)14(16,8-17)9-6-7-10(18-4)11(15)12(9)19-5/h6-7H,8,17H2,1-5H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine?
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 334.23 g/mol, XLogP of 3.64, 4 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-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 103524210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).