1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine

C16H26BrNO2 — CID 69291505

IUPAC1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine
SMILESCCCCCCCC(N)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C16H26BrNO2/c1-4-5-6-7-8-9-13(18)12-10-14(19-2)16(17)15(11-12)20-3/h10-11,13H,4-9,18H2,1-3H3
InChIKeySFDSURDJYHMTCS-UHFFFAOYSA-N
MW344.29 g/mol
LogP4.83
Rot. Bonds9

About 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine

1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine (PubChem CID 69291505) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine
PubChem CID69291505
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine
SMILESCCCCCCCC(N)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C16H26BrNO2/c1-4-5-6-7-8-9-13(18)12-10-14(19-2)16(17)15(11-12)20-3/h10-11,13H,4-9,18H2,1-3H3
InChIKeySFDSURDJYHMTCS-UHFFFAOYSA-N
XLogP4.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
CID 171219313
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
(4R)-4-amino-4-(4-bromo-3,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171202296
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(4-bromo-3,5-dimethylphenyl)heptan-1-amine
CID 114330157
1-(3,5-dimethoxyphenyl)decan-1-amine
CID 115831732
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine (CID 69291505) is 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine is CCCCCCCC(N)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine?
The InChIKey is SFDSURDJYHMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-4-5-6-7-8-9-13(18)12-10-14(19-2)16(17)15(11-12)20-3/h10-11,13H,4-9,18H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine?
1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethoxyphenyl)octan-1-amine is sourced from PubChem (CID 69291505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).