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

C12H16BrClFN — CID 105400371

IUPAC5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
SMILESCNCCCCCc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C12H16BrClFN/c1-16-6-4-2-3-5-9-7-11(14)10(13)8-12(9)15/h7-8,16H,2-6H2,1H3
InChIKeyVNIGJDXDQXPHGP-UHFFFAOYSA-N
MW308.62 g/mol
LogP4.17
Rot. Bonds6

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

5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine (PubChem CID 105400371) has the molecular formula C12H16BrClFN and a molecular weight of 308.62 g/mol. Its IUPAC name is 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
PubChem CID105400371
Molecular FormulaC12H16BrClFN
Molecular Weight308.62 g/mol
Exact Mass307.01
IUPAC Name5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
SMILESCNCCCCCc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C12H16BrClFN/c1-16-6-4-2-3-5-9-7-11(14)10(13)8-12(9)15/h7-8,16H,2-6H2,1H3
InChIKeyVNIGJDXDQXPHGP-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.62
LogP ≤ 54.17
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

6-(4-bromo-5-chloro-2-fluorophenyl)-N-propylhexan-1-amine
CID 105400378
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 105400316
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 116924844
4-(4-bromo-5-chloro-2-fluorophenyl)butanoic acid
CID 105399208
5-(4-bromo-5-chloro-2-fluorophenyl)-N-tert-butyl-3,3-dimethylpentan-1-amine
CID 105400369
5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 105400317
3-(4-bromo-5-chloro-2-fluorophenyl)propanenitrile
CID 84807102
6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine
CID 65306316
6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306559
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 116924706
5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine
CID 65305952

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine?
The IUPAC name of 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine (CID 105400371) is 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine is CNCCCCCc1cc(Cl)c(Br)cc1F.
What is the InChIKey of 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine?
The InChIKey is VNIGJDXDQXPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClFN/c1-16-6-4-2-3-5-9-7-11(14)10(13)8-12(9)15/h7-8,16H,2-6H2,1H3.
What are the key properties of 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine?
5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine has a molecular weight of 308.62 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 105400371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).