1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine

C15H22BrF2N — CID 115806943

IUPAC1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine
SMILESCCCCC(CC)CC(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H22BrF2N/c1-3-5-6-10(4-2)7-14(19)15-12(17)8-11(16)9-13(15)18/h8-10,14H,3-7,19H2,1-2H3
InChIKeyCPVZHCRGLSEZNV-UHFFFAOYSA-N
MW334.25 g/mol
LogP5.33
Rot. Bonds7

About 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine

1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine (PubChem CID 115806943) has the molecular formula C15H22BrF2N and a molecular weight of 334.25 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine
PubChem CID115806943
Molecular FormulaC15H22BrF2N
Molecular Weight334.25 g/mol
Exact Mass333.09
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine
SMILESCCCCC(CC)CC(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H22BrF2N/c1-3-5-6-10(4-2)7-14(19)15-12(17)8-11(16)9-13(15)18/h8-10,14H,3-7,19H2,1-2H3
InChIKeyCPVZHCRGLSEZNV-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.25
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
[1-(4-bromo-2-fluorophenyl)-3-ethylheptyl]hydrazine
CID 105280875
(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171206699
1-(2-bromo-4-methylphenyl)-3-ethylheptan-1-amine
CID 115806741
(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride
CID 171210929
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829272
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
1-(4-bromo-2,6-difluorophenyl)pent-4-yn-1-amine
CID 115859648

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine (CID 115806943) is 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine is CCCCC(CC)CC(N)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine?
The InChIKey is CPVZHCRGLSEZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2N/c1-3-5-6-10(4-2)7-14(19)15-12(17)8-11(16)9-13(15)18/h8-10,14H,3-7,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine?
1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine has a molecular weight of 334.25 g/mol, XLogP of 5.33, 7 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)-3-ethylheptan-1-amine is sourced from PubChem (CID 115806943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).