2-chloro-4-fluoro-N-(2-propoxyethyl)aniline

C11H15ClFNO — CID 106451563

IUPAC2-chloro-4-fluoro-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-6-15-7-5-14-11-4-3-9(13)8-10(11)12/h3-4,8,14H,2,5-7H2,1H3
InChIKeyQDWPFOTXKDRTTL-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.32
Rot. Bonds6

About 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline

2-chloro-4-fluoro-N-(2-propoxyethyl)aniline (PubChem CID 106451563) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-propoxyethyl)aniline
PubChem CID106451563
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-chloro-4-fluoro-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-6-15-7-5-14-11-4-3-9(13)8-10(11)12/h3-4,8,14H,2,5-7H2,1H3
InChIKeyQDWPFOTXKDRTTL-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline 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

2-chloro-N-(2-ethoxyethyl)-4-fluoroaniline
CID 43387861
2-chloro-N-(3-ethoxypropyl)-4-fluoroaniline
CID 65175214
2-chloro-N-(3,3-dimethylbutyl)-4-fluoroaniline
CID 63425145
2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline
CID 43807712
2-chloro-N-(3,3-diethoxypropyl)-4-fluoroaniline
CID 81094478
N-(2-butoxyethyl)-2-chloro-4-iodoaniline
CID 107606504
2-bromo-N-(2-butoxyethyl)-4-fluoroaniline
CID 61483215
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]aniline
CID 63685534
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
methyl 4-(2-chloro-4-fluoroanilino)butanoate
CID 43377980
2-butoxy-N-[(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 61170307
4-(2-butoxyethylamino)-3-chlorobenzenecarbothioamide
CID 55182191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline (CID 106451563) is 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline is CCCOCCNc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline?
The InChIKey is QDWPFOTXKDRTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-6-15-7-5-14-11-4-3-9(13)8-10(11)12/h3-4,8,14H,2,5-7H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline?
2-chloro-4-fluoro-N-(2-propoxyethyl)aniline has a molecular weight of 231.70 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-propoxyethyl)aniline is sourced from PubChem (CID 106451563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).