6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine

C15H22BrClFN — CID 105400378

IUPAC6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C15H22BrClFN/c1-2-8-19-9-6-4-3-5-7-12-10-14(17)13(16)11-15(12)18/h10-11,19H,2-9H2,1H3
InChIKeyHRKVOHVYFBOUQV-UHFFFAOYSA-N
MW350.70 g/mol
LogP5.34
Rot. Bonds9

About 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine

6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine (PubChem CID 105400378) has the molecular formula C15H22BrClFN and a molecular weight of 350.70 g/mol. Its IUPAC name is 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
PubChem CID105400378
Molecular FormulaC15H22BrClFN
Molecular Weight350.70 g/mol
Exact Mass349.06
IUPAC Name6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C15H22BrClFN/c1-2-8-19-9-6-4-3-5-7-12-10-14(17)13(16)11-15(12)18/h10-11,19H,2-9H2,1H3
InChIKeyHRKVOHVYFBOUQV-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.70
LogP ≤ 55.34
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

5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
CID 105400371
5-(2,4-difluoro-5-methylphenyl)-N-propylpentan-1-amine
CID 79731647
5-(2,5-dibromophenyl)-N-propylpentan-1-amine
CID 65300495
6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306559
4-(4-bromo-2,5-difluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65303585
4-(2,5-dibromophenyl)-N-propylbutan-1-amine
CID 65305623
4-(4-bromo-5-chloro-2-fluorophenyl)butanoic acid
CID 105399208
5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 105400317
5-(4-bromo-5-chloro-2-fluorophenyl)-N-tert-butyl-3,3-dimethylpentan-1-amine
CID 105400369
6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine
CID 79593269
3-(4-bromo-5-chloro-2-fluorophenyl)propanenitrile
CID 84807102
3-(4-chloro-3-fluorophenyl)-N-propylpropan-1-amine
CID 107886749

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine?
The IUPAC name of 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine (CID 105400378) is 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine?
The canonical SMILES for 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine is CCCNCCCCCCc1cc(Cl)c(Br)cc1F.
What is the InChIKey of 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine?
The InChIKey is HRKVOHVYFBOUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClFN/c1-2-8-19-9-6-4-3-5-7-12-10-14(17)13(16)11-15(12)18/h10-11,19H,2-9H2,1H3.
What are the key properties of 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine?
6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine has a molecular weight of 350.70 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 105400378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).