N-[(2-chloro-6-fluorophenyl)methyl]ethanamine

C9H11ClFN — CID 3034945

IUPACN-[(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCCNCc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyUYMQEQZDCJUWPU-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.59
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]ethanamine

N-[(2-chloro-6-fluorophenyl)methyl]ethanamine (PubChem CID 3034945) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]ethanamine
PubChem CID3034945
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCCNCc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyUYMQEQZDCJUWPU-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]ethanamine (CID 3034945) is N-[(2-chloro-6-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]ethanamine is CCNCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The InChIKey is UYMQEQZDCJUWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]ethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 3034945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).