N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine

C17H18F3N — CID 106881773

IUPACN-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1F)c1c(F)cccc1F
InChIInChI=1S/C17H18F3N/c1-4-21-17(16-12(18)6-5-7-13(16)19)15-11(3)8-10(2)9-14(15)20/h5-9,17,21H,4H2,1-3H3
InChIKeyONPICCYRWVBHFQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.42
Rot. Bonds4

About N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine

N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine (PubChem CID 106881773) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
PubChem CID106881773
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1F)c1c(F)cccc1F
InChIInChI=1S/C17H18F3N/c1-4-21-17(16-12(18)6-5-7-13(16)19)15-11(3)8-10(2)9-14(15)20/h5-9,17,21H,4H2,1-3H3
InChIKeyONPICCYRWVBHFQ-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(5-bromo-4-methylthiophen-2-yl)-(2,6-difluorophenyl)methyl]ethanamine
CID 79991986
N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 106883650
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106883536
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine (CID 106881773) is N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine is CCNC(c1c(C)cc(C)cc1F)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is ONPICCYRWVBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-4-21-17(16-12(18)6-5-7-13(16)19)15-11(3)8-10(2)9-14(15)20/h5-9,17,21H,4H2,1-3H3.
What are the key properties of N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106881773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).