N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine

C11H15ClFNO2 — CID 116690537

IUPACN-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO2/c1-15-7-5-14-6-8-16-10-4-2-3-9(12)11(10)13/h2-4,14H,5-8H2,1H3
InChIKeySCWNMUHIBOVCMQ-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine

N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine (PubChem CID 116690537) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
PubChem CID116690537
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC NameN-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCNCCOc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO2/c1-15-7-5-14-6-8-16-10-4-2-3-9(12)11(10)13/h2-4,14H,5-8H2,1H3
InChIKeySCWNMUHIBOVCMQ-UHFFFAOYSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
N-[[5-(3-chloro-2-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 116690114
6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
CID 116690384
2-(3-chloro-2-fluorophenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 116690528
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 102864136

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine (CID 116690537) is N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine is COCCNCCOc1cccc(Cl)c1F.
What is the InChIKey of N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine?
The InChIKey is SCWNMUHIBOVCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-15-7-5-14-6-8-16-10-4-2-3-9(12)11(10)13/h2-4,14H,5-8H2,1H3.
What are the key properties of N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine?
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine has a molecular weight of 247.70 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine is sourced from PubChem (CID 116690537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).