1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine

C15H15F2N — CID 115791781

IUPAC1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1ccc(C)cc1F
InChIInChI=1S/C15H15F2N/c1-10-6-7-13(14(17)8-10)15(18-2)11-4-3-5-12(16)9-11/h3-9,15,18H,1-2H3
InChIKeyPTIWJGOSNJOEDZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.58
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 115791781) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID115791781
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1ccc(C)cc1F
InChIInChI=1S/C15H15F2N/c1-10-6-7-13(14(17)8-10)15(18-2)11-4-3-5-12(16)9-11/h3-9,15,18H,1-2H3
InChIKeyPTIWJGOSNJOEDZ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-(2-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050619
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 115850961
1-(3-cyclobutylphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 105053588
(2-fluoro-4-methylphenyl)-(3-fluorophenyl)methanol
CID 114978479
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(3-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482464

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 115791781) is 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1)c1ccc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is PTIWJGOSNJOEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-6-7-13(14(17)8-10)15(18-2)11-4-3-5-12(16)9-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115791781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).