6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol

C13H19BrClNO — CID 103924152

IUPAC6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccc(Cl)cc1Br
InChIInChI=1S/C13H19BrClNO/c14-13-9-12(15)6-5-11(13)10-16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,10H2
InChIKeyHNPACEXAPBUFTQ-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.74
Rot. Bonds8

About 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol

6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol (PubChem CID 103924152) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol
PubChem CID103924152
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccc(Cl)cc1Br
InChIInChI=1S/C13H19BrClNO/c14-13-9-12(15)6-5-11(13)10-16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,10H2
InChIKeyHNPACEXAPBUFTQ-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.74
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

6-[(2-bromo-4-fluorophenyl)methylamino]hexan-1-ol
CID 103924150
N-[(2-bromo-4-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115742344
N-[(2-bromo-4-chlorophenyl)methyl]-5-methylhexan-1-amine
CID 115324662
2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
CID 81496345
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[(2-bromo-4-chlorophenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 114139769
N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 81495683
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816
(2S)-4-[(2-bromo-4-chlorophenyl)methylamino]butan-2-ol
CID 97357963
methyl 3-bromo-4-[(4-hydroxybutylamino)methyl]benzoate
CID 106841871
5-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]pentan-1-ol
CID 66532814
5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302833

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol (CID 103924152) is 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol is OCCCCCCNCc1ccc(Cl)cc1Br.
What is the InChIKey of 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol?
The InChIKey is HNPACEXAPBUFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c14-13-9-12(15)6-5-11(13)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-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol?
6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol has a molecular weight of 320.66 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol is sourced from PubChem (CID 103924152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).