N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine

C18H30FNO — CID 43285741

IUPACN-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine
SMILESCCCCCCC(C)Oc1cccc(F)c1C(C)NCC
InChIInChI=1S/C18H30FNO/c1-5-7-8-9-11-14(3)21-17-13-10-12-16(19)18(17)15(4)20-6-2/h10,12-15,20H,5-9,11H2,1-4H3
InChIKeyHRFSQHVQOPXEDW-UHFFFAOYSA-N
MW295.44 g/mol
LogP5.23
Rot. Bonds10

About N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine

N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine (PubChem CID 43285741) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine
PubChem CID43285741
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine
SMILESCCCCCCC(C)Oc1cccc(F)c1C(C)NCC
InChIInChI=1S/C18H30FNO/c1-5-7-8-9-11-14(3)21-17-13-10-12-16(19)18(17)15(4)20-6-2/h10,12-15,20H,5-9,11H2,1-4H3
InChIKeyHRFSQHVQOPXEDW-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.23
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

1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788452
N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
CID 43746058
1-(difluoromethyl)-2-undecan-2-yloxybenzene
CID 150271588
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone
CID 114058524
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
2-methoxy-6-octan-2-yloxyaniline
CID 113392822
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine (CID 43285741) is N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine is CCCCCCC(C)Oc1cccc(F)c1C(C)NCC.
What is the InChIKey of N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine?
The InChIKey is HRFSQHVQOPXEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-5-7-8-9-11-14(3)21-17-13-10-12-16(19)18(17)15(4)20-6-2/h10,12-15,20H,5-9,11H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine?
N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine has a molecular weight of 295.44 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 43285741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).