N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine

C15H24FNO — CID 63065689

IUPACN-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCCC(C)C
InChIInChI=1S/C15H24FNO/c1-5-17-12(4)14-7-6-13(16)10-15(14)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyGBIZPWQXJZRQDC-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.92
Rot. Bonds7

About N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine

N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine (PubChem CID 63065689) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
PubChem CID63065689
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCCC(C)C
InChIInChI=1S/C15H24FNO/c1-5-17-12(4)14-7-6-13(16)10-15(14)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyGBIZPWQXJZRQDC-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 63065873
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243
1-[2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]ethyl]imidazolidin-2-one
CID 63066571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine (CID 63065689) is N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine is CCNC(C)c1ccc(F)cc1OCCC(C)C.
What is the InChIKey of N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine?
The InChIKey is GBIZPWQXJZRQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-17-12(4)14-7-6-13(16)10-15(14)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine?
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine has a molecular weight of 253.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 63065689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).