N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine

C19H32FNO — CID 59873231

IUPACN,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
SMILESCCN(CC)CCCCCCCCOc1ccc(C)cc1F
InChIInChI=1S/C19H32FNO/c1-4-21(5-2)14-10-8-6-7-9-11-15-22-19-13-12-17(3)16-18(19)20/h12-13,16H,4-11,14-15H2,1-3H3
InChIKeyDUBXGPYBUVVVQN-UHFFFAOYSA-N
MW309.47 g/mol
LogP5.20
Rot. Bonds12

About N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine

N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine (PubChem CID 59873231) has the molecular formula C19H32FNO and a molecular weight of 309.47 g/mol. Its IUPAC name is N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
PubChem CID59873231
Molecular FormulaC19H32FNO
Molecular Weight309.47 g/mol
Exact Mass309.25
IUPAC NameN,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
SMILESCCN(CC)CCCCCCCCOc1ccc(C)cc1F
InChIInChI=1S/C19H32FNO/c1-4-21(5-2)14-10-8-6-7-9-11-15-22-19-13-12-17(3)16-18(19)20/h12-13,16H,4-11,14-15H2,1-3H3
InChIKeyDUBXGPYBUVVVQN-UHFFFAOYSA-N
XLogP5.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide
CID 157188616
2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine
CID 58603321
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
2-(2-fluoro-4-methylphenoxy)ethyl-trimethylazanium iodide
CID 157057570
2,3-difluoro-1-(2-fluoro-4-methylphenyl)-4-octoxybenzene
CID 58500753
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
CID 118501595
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
2-(2-fluoro-4-methylphenoxy)ethanesulfonic acid
CID 21333677

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine?
The IUPAC name of N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine (CID 59873231) is N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine.
What is the SMILES notation for N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine?
The canonical SMILES for N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine is CCN(CC)CCCCCCCCOc1ccc(C)cc1F.
What is the InChIKey of N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine?
The InChIKey is DUBXGPYBUVVVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FNO/c1-4-21(5-2)14-10-8-6-7-9-11-15-22-19-13-12-17(3)16-18(19)20/h12-13,16H,4-11,14-15H2,1-3H3.
What are the key properties of N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine?
N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 5.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine is sourced from PubChem (CID 59873231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).