2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

C17H20FNO — CID 43626286

IUPAC2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1cc(C)ccc1OC
InChIInChI=1S/C17H20FNO/c1-12-7-8-17(20-3)15(9-12)16(19-2)11-13-5-4-6-14(18)10-13/h4-10,16,19H,11H2,1-3H3
InChIKeyYWGJPSBRXOTSGU-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 43626286) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID43626286
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1cc(C)ccc1OC
InChIInChI=1S/C17H20FNO/c1-12-7-8-17(20-3)15(9-12)16(19-2)11-13-5-4-6-14(18)10-13/h4-10,16,19H,11H2,1-3H3
InChIKeyYWGJPSBRXOTSGU-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115864110
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 43626286) is 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1cc(C)ccc1OC.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is YWGJPSBRXOTSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-7-8-17(20-3)15(9-12)16(19-2)11-13-5-4-6-14(18)10-13/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 43626286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).