N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine

C15H15F2N — CID 870760

IUPACN-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H15F2N/c1-18(10-12-6-3-2-4-7-12)11-13-14(16)8-5-9-15(13)17/h2-9H,10-11H2,1H3
InChIKeyPSSWPTDMULHOLW-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.60
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine

N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 870760) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID870760
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H15F2N/c1-18(10-12-6-3-2-4-7-12)11-13-14(16)8-5-9-15(13)17/h2-9H,10-11H2,1H3
InChIKeyPSSWPTDMULHOLW-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine (CID 870760) is N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is PSSWPTDMULHOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-18(10-12-6-3-2-4-7-12)11-13-14(16)8-5-9-15(13)17/h2-9H,10-11H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine?
N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 870760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).