1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine

C10H13ClFNO — CID 83069552

IUPAC1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO/c1-3-14-13-7(2)8-4-5-9(11)10(12)6-8/h4-7,13H,3H2,1-2H3
InChIKeyDIXUUJIPTKYXRE-UHFFFAOYSA-N
MW217.67 g/mol
LogP3.08
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine

1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine (PubChem CID 83069552) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
PubChem CID83069552
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO/c1-3-14-13-7(2)8-4-5-9(11)10(12)6-8/h4-7,13H,3H2,1-2H3
InChIKeyDIXUUJIPTKYXRE-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine 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

1-(2,4-dichloro-5-fluorophenyl)-N-ethoxyethanamine
CID 82709029
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
1-(3-chlorophenyl)-N-ethoxyethanamine
CID 78968845
1-(3-chloro-4-fluorophenyl)-N-(2-methylpropoxy)ethanamine
CID 82710342
1-(4-chloro-3-fluorophenyl)-N-cyclopentyloxyethanamine
CID 83229220
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 83069690
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
CID 83059630
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine (CID 83069552) is 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine is CCONC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine?
The InChIKey is DIXUUJIPTKYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-3-14-13-7(2)8-4-5-9(11)10(12)6-8/h4-7,13H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine?
1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine has a molecular weight of 217.67 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine is sourced from PubChem (CID 83069552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).