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

C17H28BrNO — CID 65448568

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1cc(Br)ccc1OC
InChIInChI=1S/C17H28BrNO/c1-4-5-6-7-8-9-10-16(19-2)15-13-14(18)11-12-17(15)20-3/h11-13,16,19H,4-10H2,1-3H3
InChIKeyFMJJDLCLYMYKCX-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.47
Rot. Bonds10

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

1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine (PubChem CID 65448568) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
PubChem CID65448568
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1cc(Br)ccc1OC
InChIInChI=1S/C17H28BrNO/c1-4-5-6-7-8-9-10-16(19-2)15-13-14(18)11-12-17(15)20-3/h11-13,16,19H,4-10H2,1-3H3
InChIKeyFMJJDLCLYMYKCX-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.47
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-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
CID 115833849
1-(5-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115846020
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
CID 115831324
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine (CID 65448568) is 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine is CCCCCCCCC(NC)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine?
The InChIKey is FMJJDLCLYMYKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-4-5-6-7-8-9-10-16(19-2)15-13-14(18)11-12-17(15)20-3/h11-13,16,19H,4-10H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine?
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine is sourced from PubChem (CID 65448568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).