1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine

C16H24BrF2N — CID 105028277

IUPAC1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H24BrF2N/c1-4-7-20-15(8-11(5-2)6-3)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,4-8H2,1-3H3
InChIKeyCWSSPDHUONFJKF-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.59
Rot. Bonds8

About 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine

1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine (PubChem CID 105028277) has the molecular formula C16H24BrF2N and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
PubChem CID105028277
Molecular FormulaC16H24BrF2N
Molecular Weight348.28 g/mol
Exact Mass347.11
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H24BrF2N/c1-4-7-20-15(8-11(5-2)6-3)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,4-8H2,1-3H3
InChIKeyCWSSPDHUONFJKF-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
CID 105028858
N-[1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841679
1-(2,5-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 82922427
1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 65439832
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
CID 106858445
N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 62699285
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806713
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
1-(4-bromo-2,6-difluorophenyl)-3-ethylheptan-1-amine
CID 115806943
1-(4-bromo-3-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 115781989
N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine
CID 79574917

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine (CID 105028277) is 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine?
The InChIKey is CWSSPDHUONFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrF2N/c1-4-7-20-15(8-11(5-2)6-3)16-13(18)9-12(17)10-14(16)19/h9-11,15,20H,4-8H2,1-3H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine?
1-(4-bromo-2,6-difluorophenyl)-3-ethyl-N-propylpentan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 5.59, 8 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-ethyl-N-propylpentan-1-amine is sourced from PubChem (CID 105028277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).