N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine

C17H20FNO — CID 103902285

IUPACN-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
SMILESCOCC(NC(C)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(14-8-10-16(18)11-9-14)19-17(12-20-2)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3
InChIKeyZOHMWORGIHKCFB-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.86
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine

N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine (PubChem CID 103902285) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
PubChem CID103902285
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
SMILESCOCC(NC(C)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(14-8-10-16(18)11-9-14)19-17(12-20-2)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3
InChIKeyZOHMWORGIHKCFB-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81347485
2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103464457
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 103902288
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine (CID 103902285) is N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine is COCC(NC(C)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The InChIKey is ZOHMWORGIHKCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(14-8-10-16(18)11-9-14)19-17(12-20-2)15-6-4-3-5-7-15/h3-11,13,17,19H,12H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine?
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 103902285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).