6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol

C13H19BrFNO — CID 114009115

IUPAC6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1cccc(F)c1Br
InChIInChI=1S/C13H19BrFNO/c14-13-11(6-5-7-12(13)15)10-16-8-3-1-2-4-9-17/h5-7,16-17H,1-4,8-10H2
InChIKeyNWPUKBMDSGMOIR-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.23
Rot. Bonds8

About 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol

6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol (PubChem CID 114009115) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol
PubChem CID114009115
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1cccc(F)c1Br
InChIInChI=1S/C13H19BrFNO/c14-13-11(6-5-7-12(13)15)10-16-8-3-1-2-4-9-17/h5-7,16-17H,1-4,8-10H2
InChIKeyNWPUKBMDSGMOIR-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.23
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

N-[(2-bromo-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113327289
N-[(2-bromo-3-fluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 113410278
2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
6-[(2-bromo-4-fluorophenyl)methylamino]hexan-1-ol
CID 103924150
N'-[(2-bromo-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405507
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol
CID 103924152
5-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 66533162
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 114127458
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
CID 83960643

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol (CID 114009115) is 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol is OCCCCCCNCc1cccc(F)c1Br.
What is the InChIKey of 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol?
The InChIKey is NWPUKBMDSGMOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c14-13-11(6-5-7-12(13)15)10-16-8-3-1-2-4-9-17/h5-7,16-17H,1-4,8-10H2.
What are the key properties of 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol?
6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol has a molecular weight of 304.20 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol is sourced from PubChem (CID 114009115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).