2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine

C16H18FNO — CID 60799315

IUPAC2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cccc(OC)c1
InChIInChI=1S/C16H18FNO/c1-18-16(10-12-6-8-14(17)9-7-12)13-4-3-5-15(11-13)19-2/h3-9,11,16,18H,10H2,1-2H3
InChIKeyFJPKCQWMVZKEDS-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine

2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 60799315) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID60799315
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cccc(OC)c1
InChIInChI=1S/C16H18FNO/c1-18-16(10-12-6-8-14(17)9-7-12)13-4-3-5-15(11-13)19-2/h3-9,11,16,18H,10H2,1-2H3
InChIKeyFJPKCQWMVZKEDS-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 79703735
2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122347
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064898

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine (CID 60799315) is 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)c1cccc(OC)c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is FJPKCQWMVZKEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-18-16(10-12-6-8-14(17)9-7-12)13-4-3-5-15(11-13)19-2/h3-9,11,16,18H,10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 60799315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).