6-(2,4-difluorophenoxy)hexan-3-amine

C12H17F2NO — CID 106800648

IUPAC6-(2,4-difluorophenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-2-10(15)4-3-7-16-12-6-5-9(13)8-11(12)14/h5-6,8,10H,2-4,7,15H2,1H3
InChIKeyKFCJEOLMKJJOCE-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.86
Rot. Bonds6

About 6-(2,4-difluorophenoxy)hexan-3-amine

6-(2,4-difluorophenoxy)hexan-3-amine (PubChem CID 106800648) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)hexan-3-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)hexan-3-amine
PubChem CID106800648
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name6-(2,4-difluorophenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-2-10(15)4-3-7-16-12-6-5-9(13)8-11(12)14/h5-6,8,10H,2-4,7,15H2,1H3
InChIKeyKFCJEOLMKJJOCE-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.86
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-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
6-(2,4-difluorophenyl)sulfanylhexan-3-amine
CID 106808157
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
1-(2,4-difluorophenoxy)-3-methoxypropan-2-amine
CID 107506506
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
CID 82353628
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
2-amino-4-(2,4-difluorophenoxy)butanamide
CID 63038942
2,4-difluoro-1-octadec-9-enoxybenzene
CID 173351130

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)hexan-3-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)hexan-3-amine (CID 106800648) is 6-(2,4-difluorophenoxy)hexan-3-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)hexan-3-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)hexan-3-amine is CCC(N)CCCOc1ccc(F)cc1F.
What is the InChIKey of 6-(2,4-difluorophenoxy)hexan-3-amine?
The InChIKey is KFCJEOLMKJJOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-2-10(15)4-3-7-16-12-6-5-9(13)8-11(12)14/h5-6,8,10H,2-4,7,15H2,1H3.
What are the key properties of 6-(2,4-difluorophenoxy)hexan-3-amine?
6-(2,4-difluorophenoxy)hexan-3-amine has a molecular weight of 229.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)hexan-3-amine is sourced from PubChem (CID 106800648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).