2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine

C17H28BrNO — CID 104649474

IUPAC2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
SMILESCOCCCCC(CNCC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-14(2)12-19-13-16(6-4-5-11-20-3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeyDAZZXSYWXNKZCW-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.59
Rot. Bonds10

About 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine

2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine (PubChem CID 104649474) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
PubChem CID104649474
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
SMILESCOCCCCC(CNCC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-14(2)12-19-13-16(6-4-5-11-20-3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeyDAZZXSYWXNKZCW-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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

2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
1-bromo-4-(1-bromo-6-methoxyhexan-2-yl)benzene
CID 104650728
2-(4-bromophenyl)-6-methoxyhexan-1-ol
CID 104650630
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine (CID 104649474) is 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine is COCCCCC(CNCC(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is DAZZXSYWXNKZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-14(2)12-19-13-16(6-4-5-11-20-3)15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine?
2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 104649474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).