1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine

C14H13F2N — CID 43481546

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(15)9-13(12)16/h2-9,14,17H,1H3
InChIKeyPDODBFVWXVEOLS-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine

1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine (PubChem CID 43481546) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
PubChem CID43481546
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2N/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(15)9-13(12)16/h2-9,14,17H,1H3
InChIKeyPDODBFVWXVEOLS-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine (CID 43481546) is 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine?
The InChIKey is PDODBFVWXVEOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(15)9-13(12)16/h2-9,14,17H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine?
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine has a molecular weight of 233.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 43481546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).