3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline

C10H13ClFNO — CID 43387895

IUPAC3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline
SMILESCCOCCNc1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-2-14-7-6-13-9-5-3-4-8(11)10(9)12/h3-5,13H,2,6-7H2,1H3
InChIKeyBRJOSNLVLKCXFJ-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.93
Rot. Bonds5

About 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline

3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline (PubChem CID 43387895) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline
PubChem CID43387895
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline
SMILESCCOCCNc1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFNO/c1-2-14-7-6-13-9-5-3-4-8(11)10(9)12/h3-5,13H,2,6-7H2,1H3
InChIKeyBRJOSNLVLKCXFJ-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline 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

3-chloro-2-fluoro-N-octylaniline
CID 43129398
2-chloro-N-(2-ethoxyethyl)-4-fluoroaniline
CID 43387861
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
CID 78897897
N-(2-butoxyethyl)-3-chloro-2-methylaniline
CID 61482959
4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
CID 66077409
2-chloro-N-(2-pentoxyethyl)aniline
CID 62583761
3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54961642
N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine
CID 62599266
2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide
CID 43309689
4-(3-chloro-2-fluoroanilino)butanoic acid
CID 28969211
3-chloro-2-fluoro-N-prop-2-enylaniline
CID 62139735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline?
The IUPAC name of 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline (CID 43387895) is 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline is CCOCCNc1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline?
The InChIKey is BRJOSNLVLKCXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-2-14-7-6-13-9-5-3-4-8(11)10(9)12/h3-5,13H,2,6-7H2,1H3.
What are the key properties of 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline?
3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline has a molecular weight of 217.67 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline is sourced from PubChem (CID 43387895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).