1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine

C17H20FNO — CID 79703735

IUPAC1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C17H20FNO/c1-12-8-14(11-15(18)9-12)17(19-2)10-13-4-6-16(20-3)7-5-13/h4-9,11,17,19H,10H2,1-3H3
InChIKeyKHFZOMXXNWLWRS-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine

1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 79703735) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID79703735
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C17H20FNO/c1-12-8-14(11-15(18)9-12)17(19-2)10-13-4-6-16(20-3)7-5-13/h4-9,11,17,19H,10H2,1-3H3
InChIKeyKHFZOMXXNWLWRS-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-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81477959
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 79703735) is 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is KHFZOMXXNWLWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-8-14(11-15(18)9-12)17(19-2)10-13-4-6-16(20-3)7-5-13/h4-9,11,17,19H,10H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-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 1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 79703735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).