1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine

C16H25BrFNO — CID 103394461

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C16H25BrFNO/c1-3-4-5-6-7-8-9-15(19)12-10-13(17)14(18)11-16(12)20-2/h10-11,15H,3-9,19H2,1-2H3
InChIKeyDLILTYAJJVIGHN-UHFFFAOYSA-N
MW346.28 g/mol
LogP5.35
Rot. Bonds9

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine

1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine (PubChem CID 103394461) has the molecular formula C16H25BrFNO and a molecular weight of 346.28 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
PubChem CID103394461
Molecular FormulaC16H25BrFNO
Molecular Weight346.28 g/mol
Exact Mass345.11
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C16H25BrFNO/c1-3-4-5-6-7-8-9-15(19)12-10-13(17)14(18)11-16(12)20-2/h10-11,15H,3-9,19H2,1-2H3
InChIKeyDLILTYAJJVIGHN-UHFFFAOYSA-N
XLogP5.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.28
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 103394558
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
CID 105025092
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanamine
CID 103394333
1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine
CID 114752658
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine (CID 103394461) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine is CCCCCCCCC(N)c1cc(Br)c(F)cc1OC.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine?
The InChIKey is DLILTYAJJVIGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFNO/c1-3-4-5-6-7-8-9-15(19)12-10-13(17)14(18)11-16(12)20-2/h10-11,15H,3-9,19H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine?
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine has a molecular weight of 346.28 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine is sourced from PubChem (CID 103394461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).