1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine

C15H16FNO — CID 54910277

IUPAC1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(F)ccc2OC)cc1
InChIInChI=1S/C15H16FNO/c1-17-10-11-3-5-12(6-4-11)14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3
InChIKeyGXUVZJWSLPJDLV-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.22
Rot. Bonds4

About 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine

1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine (PubChem CID 54910277) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
PubChem CID54910277
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(F)ccc2OC)cc1
InChIInChI=1S/C15H16FNO/c1-17-10-11-3-5-12(6-4-11)14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3
InChIKeyGXUVZJWSLPJDLV-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911854
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 82540192
1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 105395772
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208829
1-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-methylmethanamine
CID 81447035
3-amino-4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208775
1-[3-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 102981053
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine (CID 54910277) is 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2cc(F)ccc2OC)cc1.
What is the InChIKey of 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine?
The InChIKey is GXUVZJWSLPJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-17-10-11-3-5-12(6-4-11)14-9-13(16)7-8-15(14)18-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine?
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 54910277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).