6-[(3,4-dibromophenyl)methylamino]hexan-1-ol

C13H19Br2NO — CID 113352570

IUPAC6-[(3,4-dibromophenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C13H19Br2NO/c14-12-6-5-11(9-13(12)15)10-16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,10H2
InChIKeyJSDCJMYJUFQUGI-UHFFFAOYSA-N
MW365.11 g/mol
LogP3.85
Rot. Bonds8

About 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol

6-[(3,4-dibromophenyl)methylamino]hexan-1-ol (PubChem CID 113352570) has the molecular formula C13H19Br2NO and a molecular weight of 365.11 g/mol. Its IUPAC name is 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3,4-dibromophenyl)methylamino]hexan-1-ol
PubChem CID113352570
Molecular FormulaC13H19Br2NO
Molecular Weight365.11 g/mol
Exact Mass362.98
IUPAC Name6-[(3,4-dibromophenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccc(Br)c(Br)c1
InChIInChI=1S/C13H19Br2NO/c14-12-6-5-11(9-13(12)15)10-16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,10H2
InChIKeyJSDCJMYJUFQUGI-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol
CID 171065990
5-[(3-bromo-4-methoxyphenyl)methylamino]pentan-1-ol
CID 29223834
4-[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 107342549
5-[(4-bromo-3-nitrophenyl)methylamino]pentan-1-ol
CID 107302954
5-[(3-bromophenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211575
4-[(4-hydroxybutylamino)methyl]benzene-1,2-diol
CID 106841084
[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
CID 107229828
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
N-[(3-bromo-4-methylphenyl)methyl]hexan-1-amine
CID 105401081
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylethanamine
CID 115692957

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol (CID 113352570) is 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol is OCCCCCCNCc1ccc(Br)c(Br)c1.
What is the InChIKey of 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol?
The InChIKey is JSDCJMYJUFQUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO/c14-12-6-5-11(9-13(12)15)10-16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,10H2.
What are the key properties of 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol?
6-[(3,4-dibromophenyl)methylamino]hexan-1-ol has a molecular weight of 365.11 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dibromophenyl)methylamino]hexan-1-ol is sourced from PubChem (CID 113352570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).