1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine

C16H18FNO — CID 43487462

IUPAC1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(C)c1)c1ccccc1F
InChIInChI=1S/C16H18FNO/c1-11-10-12(8-9-15(11)19-3)16(18-2)13-6-4-5-7-14(13)17/h4-10,16,18H,1-3H3
InChIKeyIUPDWTYQPXTGMT-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine

1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine (PubChem CID 43487462) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
PubChem CID43487462
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(C)c1)c1ccccc1F
InChIInChI=1S/C16H18FNO/c1-11-10-12(8-9-15(11)19-3)16(18-2)13-6-4-5-7-14(13)17/h4-10,16,18H,1-3H3
InChIKeyIUPDWTYQPXTGMT-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952
1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974
1-(3-chloro-4-methoxyphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 62649514
1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487683
1-(5-bromo-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105011823
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487689
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine (CID 43487462) is 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(C)c1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The InChIKey is IUPDWTYQPXTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-10-12(8-9-15(11)19-3)16(18-2)13-6-4-5-7-14(13)17/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43487462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).