1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine

C18H30BrNO — CID 105124484

IUPAC1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1cc(OC)ccc1Br
InChIInChI=1S/C18H30BrNO/c1-4-5-6-7-8-9-10-11-18(20-2)16-14-15(21-3)12-13-17(16)19/h12-14,18,20H,4-11H2,1-3H3
InChIKeyBTMBDLDLKJDELG-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.86
Rot. Bonds11

About 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine

1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine (PubChem CID 105124484) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
PubChem CID105124484
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1cc(OC)ccc1Br
InChIInChI=1S/C18H30BrNO/c1-4-5-6-7-8-9-10-11-18(20-2)16-14-15(21-3)12-13-17(16)19/h12-14,18,20H,4-11H2,1-3H3
InChIKeyBTMBDLDLKJDELG-UHFFFAOYSA-N
XLogP5.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.86
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-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
1-(2-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
CID 103845987
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984363
1-(2-bromo-4-methoxyphenyl)heptan-1-ol
CID 114753404
1-(2-bromo-4-methoxyphenyl)octan-1-ol
CID 55199625
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine (CID 105124484) is 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine?
The InChIKey is BTMBDLDLKJDELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-4-5-6-7-8-9-10-11-18(20-2)16-14-15(21-3)12-13-17(16)19/h12-14,18,20H,4-11H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine?
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 5.86, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine is sourced from PubChem (CID 105124484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).