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

C17H20FN — CID 43480184

IUPAC1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20FN/c1-12-7-8-15(9-13(12)2)17(19-3)11-14-5-4-6-16(18)10-14/h4-10,17,19H,11H2,1-3H3
InChIKeySHGHDIWXMHGTGF-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.95
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 43480184) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID43480184
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H20FN/c1-12-7-8-15(9-13(12)2)17(19-3)11-14-5-4-6-16(18)10-14/h4-10,17,19H,11H2,1-3H3
InChIKeySHGHDIWXMHGTGF-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

1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 103214634
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
1-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61064519
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 63416604
1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297174
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine (CID 43480184) is 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is SHGHDIWXMHGTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-7-8-15(9-13(12)2)17(19-3)11-14-5-4-6-16(18)10-14/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
1-(3,4-dimethylphenyl)-2-(3-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 1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 43480184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).