1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine

C16H17F2N — CID 107514088

IUPAC1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(-c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C16H17F2N/c1-10-7-8-14(16(18)15(10)17)13-6-4-5-12(9-13)11(2)19-3/h4-9,11,19H,1-3H3
InChIKeyAGASGMGZVQALQV-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.22
Rot. Bonds3

About 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine

1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine (PubChem CID 107514088) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine
PubChem CID107514088
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(-c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C16H17F2N/c1-10-7-8-14(16(18)15(10)17)13-6-4-5-12(9-13)11(2)19-3/h4-9,11,19H,1-3H3
InChIKeyAGASGMGZVQALQV-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine
CID 113324477
1-[3-(2,4-difluorophenyl)phenyl]-N-methylethanamine
CID 61034414
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
CID 63157736
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine
CID 103143946
2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol
CID 84736381
1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911563
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine (CID 107514088) is 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine is CNC(C)c1cccc(-c2ccc(C)c(F)c2F)c1.
What is the InChIKey of 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine?
The InChIKey is AGASGMGZVQALQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-7-8-14(16(18)15(10)17)13-6-4-5-12(9-13)11(2)19-3/h4-9,11,19H,1-3H3.
What are the key properties of 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine?
1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine has a molecular weight of 261.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-difluoro-4-methylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 107514088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).