1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine

C16H18FN — CID 60930098

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-5-4-6-13(9-11)16(18-3)14-7-8-15(17)12(2)10-14/h4-10,16,18H,1-3H3
InChIKeyPEQXTNRSHPPJEO-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.75
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine

1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 60930098) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID60930098
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-5-4-6-13(9-11)16(18-3)14-7-8-15(17)12(2)10-14/h4-10,16,18H,1-3H3
InChIKeyPEQXTNRSHPPJEO-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62548369
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine (CID 60930098) is 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1cccc(C)c1)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is PEQXTNRSHPPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-5-4-6-13(9-11)16(18-3)14-7-8-15(17)12(2)10-14/h4-10,16,18H,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 243.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 60930098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).