1-(4-chloro-2-fluorophenyl)-N-methylmethanamine

C8H9ClFN — CID 43163683

IUPAC1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1F
InChIInChI=1S/C8H9ClFN/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3
InChIKeyMUZTUXIMFOZXRL-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-N-methylmethanamine (PubChem CID 43163683) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
PubChem CID43163683
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1F
InChIInChI=1S/C8H9ClFN/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3
InChIKeyMUZTUXIMFOZXRL-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine (CID 43163683) is 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine is CNCc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is MUZTUXIMFOZXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 173.62 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43163683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).