2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine

C17H20FN — CID 62537490

IUPAC2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccccc1F
InChIInChI=1S/C17H20FN/c1-12-8-9-14(10-13(12)2)11-17(19-3)15-6-4-5-7-16(15)18/h4-10,17,19H,11H2,1-3H3
InChIKeySYZDRWOSRGKFMM-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.95
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine

2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine (PubChem CID 62537490) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
PubChem CID62537490
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccccc1F
InChIInChI=1S/C17H20FN/c1-12-8-9-14(10-13(12)2)11-17(19-3)15-6-4-5-7-16(15)18/h4-10,17,19H,11H2,1-3H3
InChIKeySYZDRWOSRGKFMM-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)ethyl]hydrazine
CID 105215123
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63420060
1-(2-fluorophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 61078359
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908
1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61065172
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107988881
1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 81128451

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine (CID 62537490) is 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)c1ccccc1F.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is SYZDRWOSRGKFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-8-9-14(10-13(12)2)11-17(19-3)15-6-4-5-7-16(15)18/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine?
2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 257.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 62537490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).