1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine

C15H22BrF2N — CID 115850027

IUPAC1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H22BrF2N/c1-5-19-13(6-7-15(2,3)4)14-11(17)8-10(16)9-12(14)18/h8-9,13,19H,5-7H2,1-4H3
InChIKeyGPOHBHRYCBGLDL-UHFFFAOYSA-N
MW334.25 g/mol
LogP5.20
Rot. Bonds5

About 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine

1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine (PubChem CID 115850027) has the molecular formula C15H22BrF2N and a molecular weight of 334.25 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
PubChem CID115850027
Molecular FormulaC15H22BrF2N
Molecular Weight334.25 g/mol
Exact Mass333.09
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H22BrF2N/c1-5-19-13(6-7-15(2,3)4)14-11(17)8-10(16)9-12(14)18/h8-9,13,19H,5-7H2,1-4H3
InChIKeyGPOHBHRYCBGLDL-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.25
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013295
1-(3-bromo-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 114020071
1-(3-bromo-5-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 66423655
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115849742
1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
CID 105028858
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 55186414
1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000917
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997809
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine (CID 115850027) is 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine is CCNC(CCC(C)(C)C)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The InChIKey is GPOHBHRYCBGLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2N/c1-5-19-13(6-7-15(2,3)4)14-11(17)8-10(16)9-12(14)18/h8-9,13,19H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine has a molecular weight of 334.25 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115850027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).