1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine

C14H13ClFN — CID 54911260

IUPAC1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C14H13ClFN/c1-17-9-11-7-6-10(8-14(11)16)12-4-2-3-5-13(12)15/h2-8,17H,9H2,1H3
InChIKeyIPOIMSQYCJJZAX-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.87
Rot. Bonds3

About 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine

1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 54911260) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID54911260
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C14H13ClFN/c1-17-9-11-7-6-10(8-14(11)16)12-4-2-3-5-13(12)15/h2-8,17H,9H2,1H3
InChIKeyIPOIMSQYCJJZAX-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine (CID 54911260) is 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine is CNCc1ccc(-c2ccccc2Cl)cc1F.
What is the InChIKey of 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is IPOIMSQYCJJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-17-9-11-7-6-10(8-14(11)16)12-4-2-3-5-13(12)15/h2-8,17H,9H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine?
1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine has a molecular weight of 249.72 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 54911260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).