6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine

C17H28BrNO — CID 65308860

IUPAC6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCOc1ccc(Br)cc1CCCCCCNCC(C)C
InChIInChI=1S/C17H28BrNO/c1-14(2)13-19-11-7-5-4-6-8-15-12-16(18)9-10-17(15)20-3/h9-10,12,14,19H,4-8,11,13H2,1-3H3
InChIKeyPAOXFHANSKXKAD-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.81
Rot. Bonds10

About 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine

6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 65308860) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID65308860
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCOc1ccc(Br)cc1CCCCCCNCC(C)C
InChIInChI=1S/C17H28BrNO/c1-14(2)13-19-11-7-5-4-6-8-15-12-16(18)9-10-17(15)20-3/h9-10,12,14,19H,4-8,11,13H2,1-3H3
InChIKeyPAOXFHANSKXKAD-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65326200
2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol
CID 115252199
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
1-amino-3-[2-(5-bromo-2-methoxyphenyl)ethylamino]propan-2-ol
CID 115121601
6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306555
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 106844843
N-[(5-bromo-2-methoxyphenyl)methyl]-4-chlorobutan-1-amine
CID 106844337
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine (CID 65308860) is 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine is COc1ccc(Br)cc1CCCCCCNCC(C)C.
What is the InChIKey of 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is PAOXFHANSKXKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-14(2)13-19-11-7-5-4-6-8-15-12-16(18)9-10-17(15)20-3/h9-10,12,14,19H,4-8,11,13H2,1-3H3.
What are the key properties of 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine?
6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 65308860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).