6-(3-fluorophenoxy)-N-methylhexan-3-amine

C13H20FNO — CID 106800734

IUPAC6-(3-fluorophenoxy)-N-methylhexan-3-amine
SMILESCCC(CCCOc1cccc(F)c1)NC
InChIInChI=1S/C13H20FNO/c1-3-12(15-2)7-5-9-16-13-8-4-6-11(14)10-13/h4,6,8,10,12,15H,3,5,7,9H2,1-2H3
InChIKeyWGFIKMFOMIJVOJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.98
Rot. Bonds7

About 6-(3-fluorophenoxy)-N-methylhexan-3-amine

6-(3-fluorophenoxy)-N-methylhexan-3-amine (PubChem CID 106800734) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(3-fluorophenoxy)-N-methylhexan-3-amine
PubChem CID106800734
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name6-(3-fluorophenoxy)-N-methylhexan-3-amine
SMILESCCC(CCCOc1cccc(F)c1)NC
InChIInChI=1S/C13H20FNO/c1-3-12(15-2)7-5-9-16-13-8-4-6-11(14)10-13/h4,6,8,10,12,15H,3,5,7,9H2,1-2H3
InChIKeyWGFIKMFOMIJVOJ-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
2-(3-fluorophenoxy)ethanethiol
CID 79002331
butyl 2-(3-fluorophenoxy)acetate
CID 60644291
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)-N-methylhexan-3-amine?
The IUPAC name of 6-(3-fluorophenoxy)-N-methylhexan-3-amine (CID 106800734) is 6-(3-fluorophenoxy)-N-methylhexan-3-amine.
What is the SMILES notation for 6-(3-fluorophenoxy)-N-methylhexan-3-amine?
The canonical SMILES for 6-(3-fluorophenoxy)-N-methylhexan-3-amine is CCC(CCCOc1cccc(F)c1)NC.
What is the InChIKey of 6-(3-fluorophenoxy)-N-methylhexan-3-amine?
The InChIKey is WGFIKMFOMIJVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-12(15-2)7-5-9-16-13-8-4-6-11(14)10-13/h4,6,8,10,12,15H,3,5,7,9H2,1-2H3.
What are the key properties of 6-(3-fluorophenoxy)-N-methylhexan-3-amine?
6-(3-fluorophenoxy)-N-methylhexan-3-amine has a molecular weight of 225.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)-N-methylhexan-3-amine is sourced from PubChem (CID 106800734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).