1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine

C16H17ClFNO2 — CID 104545899

IUPAC1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(OC)c1)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H17ClFNO2/c1-19-16(10-4-6-13(18)15(8-10)21-3)12-9-11(17)5-7-14(12)20-2/h4-9,16,19H,1-3H3
InChIKeyQRJRHMPHFYYTIB-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.81
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine

1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 104545899) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID104545899
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(OC)c1)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H17ClFNO2/c1-19-16(10-4-6-13(18)15(8-10)21-3)12-9-11(17)5-7-14(12)20-2/h4-9,16,19H,1-3H3
InChIKeyQRJRHMPHFYYTIB-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483201
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 81282943
1-(2-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288450
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62791195
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine (CID 104545899) is 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(OC)c1)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is QRJRHMPHFYYTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-19-16(10-4-6-13(18)15(8-10)21-3)12-9-11(17)5-7-14(12)20-2/h4-9,16,19H,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 309.77 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 104545899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).