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

C18H22FNO — CID 63066226

IUPACN-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCCc1ccccc1
InChIInChI=1S/C18H22FNO/c1-3-20-14(2)17-10-9-16(19)13-18(17)21-12-11-15-7-5-4-6-8-15/h4-10,13-14,20H,3,11-12H2,1-2H3
InChIKeyXMDXRKMFRLNLJG-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.12
Rot. Bonds7

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

N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine (PubChem CID 63066226) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
PubChem CID63066226
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCCc1ccccc1
InChIInChI=1S/C18H22FNO/c1-3-20-14(2)17-10-9-16(19)13-18(17)21-12-11-15-7-5-4-6-8-15/h4-10,13-14,20H,3,11-12H2,1-2H3
InChIKeyXMDXRKMFRLNLJG-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243
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
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 43128588
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
1-[2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]ethyl]imidazolidin-2-one
CID 63066571
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine
CID 54807556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine (CID 63066226) is N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine is CCNC(C)c1ccc(F)cc1OCCc1ccccc1.
What is the InChIKey of N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine?
The InChIKey is XMDXRKMFRLNLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-20-14(2)17-10-9-16(19)13-18(17)21-12-11-15-7-5-4-6-8-15/h4-10,13-14,20H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine?
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.12, 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-(2-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 63066226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).