1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine

C16H18FN — CID 113324477

IUPAC1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(-c2cccc(F)c2C)c1
InChIInChI=1S/C16H18FN/c1-11-15(8-5-9-16(11)17)14-7-4-6-13(10-14)12(2)18-3/h4-10,12,18H,1-3H3
InChIKeyANIOOKGGKMBXOU-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.08
Rot. Bonds3

About 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine

1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine (PubChem CID 113324477) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine
PubChem CID113324477
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(-c2cccc(F)c2C)c1
InChIInChI=1S/C16H18FN/c1-11-15(8-5-9-16(11)17)14-7-4-6-13(10-14)12(2)18-3/h4-10,12,18H,1-3H3
InChIKeyANIOOKGGKMBXOU-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine (CID 113324477) is 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine is CNC(C)c1cccc(-c2cccc(F)c2C)c1.
What is the InChIKey of 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine?
The InChIKey is ANIOOKGGKMBXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-15(8-5-9-16(11)17)14-7-4-6-13(10-14)12(2)18-3/h4-10,12,18H,1-3H3.
What are the key properties of 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine?
1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine has a molecular weight of 243.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 113324477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).