1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine

C16H15F4N — CID 105027228

IUPAC1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1c(F)ccc(C)c1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15F4N/c1-8-4-6-10(17)12(14(8)19)16(21-3)13-11(18)7-5-9(2)15(13)20/h4-7,16,21H,1-3H3
InChIKeyIDBGRSCYZZKMHK-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.17
Rot. Bonds3

About 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine

1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 105027228) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID105027228
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1c(F)ccc(C)c1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15F4N/c1-8-4-6-10(17)12(14(8)19)16(21-3)13-11(18)7-5-9(2)15(13)20/h4-7,16,21H,1-3H3
InChIKeyIDBGRSCYZZKMHK-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852895
1-(2,6-difluoro-3-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 105027103
1-(2,5-dibromo-4-methylphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82797769
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300
1-(2-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82823128
1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82797199
1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 82803167
1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 105027085
1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175903
1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175874
1-(2-bromo-5-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175928

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine (CID 105027228) is 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1c(F)ccc(C)c1F)c1c(F)ccc(C)c1F.
What is the InChIKey of 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is IDBGRSCYZZKMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-8-4-6-10(17)12(14(8)19)16(21-3)13-11(18)7-5-9(2)15(13)20/h4-7,16,21H,1-3H3.
What are the key properties of 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine?
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 297.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105027228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).