1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine

C17H19F2NO — CID 107513901

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine
SMILESCNC(c1ccc(C)c(F)c1F)C(OC)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-11-9-10-13(15(19)14(11)18)16(20-2)17(21-3)12-7-5-4-6-8-12/h4-10,16-17,20H,1-3H3
InChIKeyJQNYGXMZFPXESQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.92
Rot. Bonds5

About 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine

1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine (PubChem CID 107513901) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine
PubChem CID107513901
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine
SMILESCNC(c1ccc(C)c(F)c1F)C(OC)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-11-9-10-13(15(19)14(11)18)16(20-2)17(21-3)12-7-5-4-6-8-12/h4-10,16-17,20H,1-3H3
InChIKeyJQNYGXMZFPXESQ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine 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

1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772654
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772649
[2-methoxy-1-(4-methoxy-2-methylphenyl)-2-phenylethyl]hydrazine
CID 105279171
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
[1-(2,3-dimethylphenyl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279006
1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107515336
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-phenylethanol
CID 103433262
2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
CID 116772639
N-ethyl-2-methoxy-1-(4-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773113
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N-methyl-2-phenylethanamine
CID 106463054

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine (CID 107513901) is 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine is CNC(c1ccc(C)c(F)c1F)C(OC)c1ccccc1.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The InChIKey is JQNYGXMZFPXESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-9-10-13(15(19)14(11)18)16(20-2)17(21-3)12-7-5-4-6-8-12/h4-10,16-17,20H,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine?
1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine is sourced from PubChem (CID 107513901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).