6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol

C13H19F2NO2 — CID 107702733

IUPAC6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
SMILESNCc1cc(F)c(OCCCCCCO)c(F)c1
InChIInChI=1S/C13H19F2NO2/c14-11-7-10(9-16)8-12(15)13(11)18-6-4-2-1-3-5-17/h7-8,17H,1-6,9,16H2
InChIKeyMOCRWPHNMBUJTC-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.36
Rot. Bonds8

About 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol

6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol (PubChem CID 107702733) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
PubChem CID107702733
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
SMILESNCc1cc(F)c(OCCCCCCO)c(F)c1
InChIInChI=1S/C13H19F2NO2/c14-11-7-10(9-16)8-12(15)13(11)18-6-4-2-1-3-5-17/h7-8,17H,1-6,9,16H2
InChIKeyMOCRWPHNMBUJTC-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
CID 79887012
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
3,5-difluoro-4-(5-hydroxypentoxy)benzoic acid
CID 114216632
[3,5-difluoro-4-(4-methylpentoxy)phenyl]methanamine
CID 81294772
6-[2,6-difluoro-4-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702737
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
5-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]pentan-1-ol
CID 55053052
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol?
The IUPAC name of 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol (CID 107702733) is 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol is NCc1cc(F)c(OCCCCCCO)c(F)c1.
What is the InChIKey of 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol?
The InChIKey is MOCRWPHNMBUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c14-11-7-10(9-16)8-12(15)13(11)18-6-4-2-1-3-5-17/h7-8,17H,1-6,9,16H2.
What are the key properties of 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol?
6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol is sourced from PubChem (CID 107702733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).