6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine

C16H26FNO — CID 102986433

IUPAC6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
SMILESCCCNCCCCCCOc1cc(F)ccc1C
InChIInChI=1S/C16H26FNO/c1-3-10-18-11-6-4-5-7-12-19-16-13-15(17)9-8-14(16)2/h8-9,13,18H,3-7,10-12H2,1-2H3
InChIKeyINJJDGGYWROMCU-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.07
Rot. Bonds10

About 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine

6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine (PubChem CID 102986433) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
PubChem CID102986433
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
SMILESCCCNCCCCCCOc1cc(F)ccc1C
InChIInChI=1S/C16H26FNO/c1-3-10-18-11-6-4-5-7-12-19-16-13-15(17)9-8-14(16)2/h8-9,13,18H,3-7,10-12H2,1-2H3
InChIKeyINJJDGGYWROMCU-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.07
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

N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
CID 62451912
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
6-(5-fluoro-2-methylphenoxy)hexane-1-thiol
CID 102988847
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 102987235
2-(3-ethylsulfanylpropoxy)-4-fluoro-1-methylbenzene
CID 102975398

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine?
The IUPAC name of 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine (CID 102986433) is 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine.
What is the SMILES notation for 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine?
The canonical SMILES for 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine is CCCNCCCCCCOc1cc(F)ccc1C.
What is the InChIKey of 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine?
The InChIKey is INJJDGGYWROMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-10-18-11-6-4-5-7-12-19-16-13-15(17)9-8-14(16)2/h8-9,13,18H,3-7,10-12H2,1-2H3.
What are the key properties of 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine?
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine is sourced from PubChem (CID 102986433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).