N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine

C9H11ClFNO — CID 23499569

IUPACN-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNOCCCl)cc1
InChIInChI=1S/C9H11ClFNO/c10-5-6-13-12-7-8-1-3-9(11)4-2-8/h1-4,12H,5-7H2
InChIKeyPUCZZVXAMBDFFE-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.09
Rot. Bonds5

About N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine

N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine (PubChem CID 23499569) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine
PubChem CID23499569
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC NameN-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNOCCCl)cc1
InChIInChI=1S/C9H11ClFNO/c10-5-6-13-12-7-8-1-3-9(11)4-2-8/h1-4,12H,5-7H2
InChIKeyPUCZZVXAMBDFFE-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine (CID 23499569) is N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine is Fc1ccc(CNOCCCl)cc1.
What is the InChIKey of N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine?
The InChIKey is PUCZZVXAMBDFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-5-6-13-12-7-8-1-3-9(11)4-2-8/h1-4,12H,5-7H2.
What are the key properties of N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine?
N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine has a molecular weight of 203.64 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethoxy)-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 23499569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).