1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine

C16H17F2N — CID 60818353

IUPAC1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H17F2N/c1-11-6-7-13(10-15(11)18)16(19-2)9-12-4-3-5-14(17)8-12/h3-8,10,16,19H,9H2,1-2H3
InChIKeyCLHXQKAWILNICQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine

1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 60818353) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID60818353
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H17F2N/c1-11-6-7-13(10-15(11)18)16(19-2)9-12-4-3-5-14(17)8-12/h3-8,10,16,19H,9H2,1-2H3
InChIKeyCLHXQKAWILNICQ-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222
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
1-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61064519
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297174
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine (CID 60818353) is 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is CLHXQKAWILNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-6-7-13(10-15(11)18)16(19-2)9-12-4-3-5-14(17)8-12/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine?
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.78, 4 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)-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 60818353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).