2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine

C11H14Cl2FNO — CID 103049983

IUPAC2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(Cl)cc1CNCCOCCCl
InChIInChI=1S/C11H14Cl2FNO/c12-3-5-16-6-4-15-8-9-7-10(13)1-2-11(9)14/h1-2,7,15H,3-6,8H2
InChIKeyQMOQSRBHNAKUKL-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.82
Rot. Bonds7

About 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine

2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine (PubChem CID 103049983) has the molecular formula C11H14Cl2FNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
PubChem CID103049983
Molecular FormulaC11H14Cl2FNO
Molecular Weight266.14 g/mol
Exact Mass265.04
IUPAC Name2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(Cl)cc1CNCCOCCCl
InChIInChI=1S/C11H14Cl2FNO/c12-3-5-16-6-4-15-8-9-7-10(13)1-2-11(9)14/h1-2,7,15H,3-6,8H2
InChIKeyQMOQSRBHNAKUKL-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.82
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'}

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Related Compounds

Benzylamine, 2,4-dichloro-N-(2-ethoxyethyl)-
CID 52317
Benzylamine, 3,4-dichloro-N-(2-ethoxyethyl)-
CID 52318
N-(2,4-dichlorobenzyl)-2-methoxyethanamine hydrochloride
CID 6460284
N-[(3-chloro-5-fluorophenyl)methyl]ethanamine;hydrochloride
CID 49795972
N-[(3-chloro-5-fluorophenyl)methyl]propan-1-amine;hydrochloride
CID 49795996
N-[(3-chloro-5-ethenyl-2-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy]ethanamine
CID 163666252
N-(3,4-Dichlorobenzyl)-2-methoxyethanamine
CID 594256
[(2-Chloro-4-fluorophenyl)methyl](3-ethoxypropyl)amine
CID 4548093
2-(3-Chloro-benzylamino)-ethanol
CID 4711790
2-(((3-Chlorophenyl)methyl)amino)ethan-1-ol hydrochloride
CID 17293670
N-[(2-chlorophenyl)methyl]oxetan-3-amine
CID 56604677
((3-Chlorophenyl)methyl)(2,2-dimethoxyethyl)amine
CID 60657354

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine (CID 103049983) is 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine is Fc1ccc(Cl)cc1CNCCOCCCl.
What is the InChIKey of 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
The InChIKey is QMOQSRBHNAKUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FNO/c12-3-5-16-6-4-15-8-9-7-10(13)1-2-11(9)14/h1-2,7,15H,3-6,8H2.
What are the key properties of 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine?
2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103049983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).