N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine

C17H20FNO — CID 81284854

IUPACN-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H20FNO/c1-3-19-16(11-13-7-5-4-6-8-13)14-9-10-15(18)17(12-14)20-2/h4-10,12,16,19H,3,11H2,1-2H3
InChIKeyTYJKCOIIHQWZIO-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.73
Rot. Bonds6

About N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine

N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine (PubChem CID 81284854) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
PubChem CID81284854
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H20FNO/c1-3-19-16(11-13-7-5-4-6-8-13)14-9-10-15(18)17(12-14)20-2/h4-10,12,16,19H,3,11H2,1-2H3
InChIKeyTYJKCOIIHQWZIO-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015053
[1-(3-fluoro-4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105195319
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 115848347
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
CID 62607725
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
CID 115829862
N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
CID 107012046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine (CID 81284854) is N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine is CCNC(Cc1ccccc1)c1ccc(F)c(OC)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine?
The InChIKey is TYJKCOIIHQWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-19-16(11-13-7-5-4-6-8-13)14-9-10-15(18)17(12-14)20-2/h4-10,12,16,19H,3,11H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine?
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.73, 6 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-3-methoxyphenyl)-2-phenylethanamine is sourced from PubChem (CID 81284854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).