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

C15H24FNO — CID 43285081

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

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

N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine (PubChem CID 43285081) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
PubChem CID43285081
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCC(C)C)c(F)c1
InChIInChI=1S/C15H24FNO/c1-5-17-12(4)13-6-7-15(14(16)10-13)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyKNPBDIQGDMFQAN-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

2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
CID 43279451
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722508
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 43284973
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
CID 113389475
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine (CID 43285081) is N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine is CCNC(C)c1ccc(OCCC(C)C)c(F)c1.
What is the InChIKey of N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine?
The InChIKey is KNPBDIQGDMFQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-17-12(4)13-6-7-15(14(16)10-13)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-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine?
N-ethyl-1-[3-fluoro-4-(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-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 43285081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).