N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine

C15H24FNO — CID 43286048

IUPACN-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
SMILESCCCCCOc1ccc(F)cc1C(C)NCC
InChIInChI=1S/C15H24FNO/c1-4-6-7-10-18-15-9-8-13(16)11-14(15)12(3)17-5-2/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyANVWJLYPUVVAFH-UHFFFAOYSA-N
MW253.36 g/mol
LogP4.07
Rot. Bonds8

About N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine

N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine (PubChem CID 43286048) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
PubChem CID43286048
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
SMILESCCCCCOc1ccc(F)cc1C(C)NCC
InChIInChI=1S/C15H24FNO/c1-4-6-7-10-18-15-9-8-13(16)11-14(15)12(3)17-5-2/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyANVWJLYPUVVAFH-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
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

1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103177883
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
N-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918
N-ethyl-1-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 43285209
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine (CID 43286048) is N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine is CCCCCOc1ccc(F)cc1C(C)NCC.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine?
The InChIKey is ANVWJLYPUVVAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-6-7-10-18-15-9-8-13(16)11-14(15)12(3)17-5-2/h8-9,11-12,17H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine?
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine has a molecular weight of 253.36 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine is sourced from PubChem (CID 43286048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).