6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine

C16H24BrF2N — CID 65306559

IUPAC6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCCCCCCc1cc(F)c(Br)cc1F
InChIInChI=1S/C16H24BrF2N/c1-12(2)11-20-8-6-4-3-5-7-13-9-16(19)14(17)10-15(13)18/h9-10,12,20H,3-8,11H2,1-2H3
InChIKeyDVMZQQBLDBIGGV-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.08
Rot. Bonds9

About 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine

6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 65306559) has the molecular formula C16H24BrF2N and a molecular weight of 348.28 g/mol. Its IUPAC name is 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID65306559
Molecular FormulaC16H24BrF2N
Molecular Weight348.28 g/mol
Exact Mass347.11
IUPAC Name6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCCCCCCc1cc(F)c(Br)cc1F
InChIInChI=1S/C16H24BrF2N/c1-12(2)11-20-8-6-4-3-5-7-13-9-16(19)14(17)10-15(13)18/h9-10,12,20H,3-8,11H2,1-2H3
InChIKeyDVMZQQBLDBIGGV-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-2,5-difluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65303585
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65326200
6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
CID 105400378
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
3-(4-bromo-2,5-difluorophenyl)propan-1-amine
CID 84803842
6-(2,5-dichlorothiophen-3-yl)-N-(2-methylpropyl)hexan-1-amine
CID 65306195
6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860
4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
CID 105400371
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303435

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine (CID 65306559) is 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine is CC(C)CNCCCCCCc1cc(F)c(Br)cc1F.
What is the InChIKey of 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is DVMZQQBLDBIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrF2N/c1-12(2)11-20-8-6-4-3-5-7-13-9-16(19)14(17)10-15(13)18/h9-10,12,20H,3-8,11H2,1-2H3.
What are the key properties of 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine?
6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 65306559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).