6-(2-fluoro-5-methylphenoxy)hexan-3-amine

C13H20FNO — CID 106801003

IUPAC6-(2-fluoro-5-methylphenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-3-11(15)5-4-8-16-13-9-10(2)6-7-12(13)14/h6-7,9,11H,3-5,8,15H2,1-2H3
InChIKeyUSNCMFYQHXAWEE-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.03
Rot. Bonds6

About 6-(2-fluoro-5-methylphenoxy)hexan-3-amine

6-(2-fluoro-5-methylphenoxy)hexan-3-amine (PubChem CID 106801003) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylphenoxy)hexan-3-amine.

Molecular Properties

Compound Name6-(2-fluoro-5-methylphenoxy)hexan-3-amine
PubChem CID106801003
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name6-(2-fluoro-5-methylphenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-3-11(15)5-4-8-16-13-9-10(2)6-7-12(13)14/h6-7,9,11H,3-5,8,15H2,1-2H3
InChIKeyUSNCMFYQHXAWEE-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.03
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

5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
6-(4-methylphenoxy)hexan-3-amine
CID 106800758
N-ethyl-6-(2-fluoro-5-methylphenoxy)hexan-2-amine
CID 64854812
ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate
CID 64855551
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
1-fluoro-4-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 115518687

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylphenoxy)hexan-3-amine?
The IUPAC name of 6-(2-fluoro-5-methylphenoxy)hexan-3-amine (CID 106801003) is 6-(2-fluoro-5-methylphenoxy)hexan-3-amine.
What is the SMILES notation for 6-(2-fluoro-5-methylphenoxy)hexan-3-amine?
The canonical SMILES for 6-(2-fluoro-5-methylphenoxy)hexan-3-amine is CCC(N)CCCOc1cc(C)ccc1F.
What is the InChIKey of 6-(2-fluoro-5-methylphenoxy)hexan-3-amine?
The InChIKey is USNCMFYQHXAWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-11(15)5-4-8-16-13-9-10(2)6-7-12(13)14/h6-7,9,11H,3-5,8,15H2,1-2H3.
What are the key properties of 6-(2-fluoro-5-methylphenoxy)hexan-3-amine?
6-(2-fluoro-5-methylphenoxy)hexan-3-amine has a molecular weight of 225.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methylphenoxy)hexan-3-amine is sourced from PubChem (CID 106801003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).