1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

C16H16F3NO — CID 115852460

IUPAC1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC(F)F)c1)c1ccc(F)cc1C
InChIInChI=1S/C16H16F3NO/c1-10-8-12(17)6-7-14(10)15(20-2)11-4-3-5-13(9-11)21-16(18)19/h3-9,15-16,20H,1-2H3
InChIKeyPCRGMYAEPJDESH-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.04
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 115852460) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID115852460
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC(F)F)c1)c1ccc(F)cc1C
InChIInChI=1S/C16H16F3NO/c1-10-8-12(17)6-7-14(10)15(20-2)11-4-3-5-13(9-11)21-16(18)19/h3-9,15-16,20H,1-2H3
InChIKeyPCRGMYAEPJDESH-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866
1-[4-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852459
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 115852484
1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
1-(2,5-dibromothiophen-3-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43486884
[[3-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methyl]hydrazine
CID 105303330
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (CID 115852460) is 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is CNC(c1cccc(OC(F)F)c1)c1ccc(F)cc1C.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is PCRGMYAEPJDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-8-12(17)6-7-14(10)15(20-2)11-4-3-5-13(9-11)21-16(18)19/h3-9,15-16,20H,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115852460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).