1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

C17H19F2NO — CID 82797199

IUPAC1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H19F2NO/c1-10-5-8-14(18)15(16(10)19)17(20-3)13-7-6-12(21-4)9-11(13)2/h5-9,17,20H,1-4H3
InChIKeyBXHREHUCFAOFRR-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.90
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 82797199) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID82797199
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H19F2NO/c1-10-5-8-14(18)15(16(10)19)17(20-3)13-7-6-12(21-4)9-11(13)2/h5-9,17,20H,1-4H3
InChIKeyBXHREHUCFAOFRR-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175928
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843
1-(4-chloro-2,5-difluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82772858
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852895
1-(2-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81454582
1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 107992337
1-(2-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82823128
1-(2-bromo-5-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482821
1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105115555
1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175874

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (CID 82797199) is 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1C)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is BXHREHUCFAOFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10-5-8-14(18)15(16(10)19)17(20-3)13-7-6-12(21-4)9-11(13)2/h5-9,17,20H,1-4H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 82797199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).