4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine

C13H19BrFNO — CID 57213183

IUPAC4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine
SMILESCCC(CCCN)OCc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-2-12(4-3-7-16)17-9-10-8-11(14)5-6-13(10)15/h5-6,8,12H,2-4,7,9,16H2,1H3
InChIKeyYLJCQMSSFPUNCR-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.62
Rot. Bonds7

About 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine

4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine (PubChem CID 57213183) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine
PubChem CID57213183
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine
SMILESCCC(CCCN)OCc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-2-12(4-3-7-16)17-9-10-8-11(14)5-6-13(10)15/h5-6,8,12H,2-4,7,9,16H2,1H3
InChIKeyYLJCQMSSFPUNCR-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134157655
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CID 178270940
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CID 13853473
2-(2-fluoro-5-bromobenzyloxy)-(N-methyl)ethylamine
CID 20662437
3-[2-[(5-Bromo-2-fluorophenyl)methoxy]ethyl]-1-methylpiperidine
CID 20662447
4-[(5-Bromo-2-fluorophenyl)methoxy]butan-1-amine
CID 20662456
4-[(5-bromo-2-fluorophenyl)methoxy]-N,2,2-trimethylbutan-1-amine
CID 20662457
4-[(5-bromo-2-fluorophenyl)methoxy]-N,3,3-trimethylbutan-1-amine
CID 20662458
N-methyl-4-[2-fluoro-5-bromobenzyloxy]butylamine
CID 20662459
4-[(5-bromo-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 20662460
5-[(5-bromo-2-fluorophenyl)methoxy]-N,2-dimethylpentan-2-amine
CID 20662462

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine (CID 57213183) is 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine is CCC(CCCN)OCc1cc(Br)ccc1F.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine?
The InChIKey is YLJCQMSSFPUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-2-12(4-3-7-16)17-9-10-8-11(14)5-6-13(10)15/h5-6,8,12H,2-4,7,9,16H2,1H3.
What are the key properties of 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine?
4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine has a molecular weight of 304.20 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine is sourced from PubChem (CID 57213183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).