6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol

C13H19ClFNO — CID 107851583

IUPAC6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFNO/c14-13-6-5-12(15)9-11(13)10-16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,10H2
InChIKeyUDVJHYJYMWRQAS-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.12
Rot. Bonds8

About 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol

6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol (PubChem CID 107851583) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol
PubChem CID107851583
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol
SMILESOCCCCCCNCc1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFNO/c14-13-6-5-12(15)9-11(13)10-16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,10H2
InChIKeyUDVJHYJYMWRQAS-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.12
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

5-chloro-N-[(2-chloro-5-fluorophenyl)methyl]pentan-1-amine
CID 107319753
4-[(2-chloro-5-fluorophenyl)methylamino]butanamide
CID 102615506
6-[(2-bromo-4-fluorophenyl)methylamino]hexan-1-ol
CID 103924150
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
N-[(2-chloro-5-fluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 102615537
N-[(2-chloro-5-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 102615423
3-(2-chloroethoxy)-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 106306235
5-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]pentan-1-ol
CID 66531698
N-[(2-chloro-5-fluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 102615947
N-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 102615682
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106175909

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol (CID 107851583) is 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol is OCCCCCCNCc1cc(F)ccc1Cl.
What is the InChIKey of 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol?
The InChIKey is UDVJHYJYMWRQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c14-13-6-5-12(15)9-11(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-chloro-5-fluorophenyl)methylamino]hexan-1-ol?
6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol has a molecular weight of 259.75 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol is sourced from PubChem (CID 107851583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).