1-(3-fluoro-4-methylphenyl)-N-methylethanamine

C10H14FN — CID 20804955

IUPAC1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C10H14FN/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6,8,12H,1-3H3
InChIKeyYPWMKUOORWCZGT-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.41
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-N-methylethanamine

1-(3-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 20804955) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID20804955
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C10H14FN/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6,8,12H,1-3H3
InChIKeyYPWMKUOORWCZGT-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoro-4-methylphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methylethanamine (CID 20804955) is 1-(3-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methylethanamine is CNC(C)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is YPWMKUOORWCZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6,8,12H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
1-(3-fluoro-4-methylphenyl)-N-methylethanamine has a molecular weight of 167.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 20804955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).