1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine

C17H19F2N — CID 107513293

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C17H19F2N/c1-10-6-11(2)8-13(7-10)9-15(20)14-5-4-12(3)16(18)17(14)19/h4-8,15H,9,20H2,1-3H3
InChIKeyQTRSUUNNIPZORL-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.13
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine

1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine (PubChem CID 107513293) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
PubChem CID107513293
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C17H19F2N/c1-10-6-11(2)8-13(7-10)9-15(20)14-5-4-12(3)16(18)17(14)19/h4-8,15H,9,20H2,1-3H3
InChIKeyQTRSUUNNIPZORL-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304819
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
CID 131057437
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
2-(2-chlorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107513256
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 106762466

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine (CID 107513293) is 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(CC(N)c2ccc(C)c(F)c2F)c1.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The InChIKey is QTRSUUNNIPZORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-10-6-11(2)8-13(7-10)9-15(20)14-5-4-12(3)16(18)17(14)19/h4-8,15H,9,20H2,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine has a molecular weight of 275.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 107513293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).