4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline

C12H18ClNO — CID 65024049

IUPAC4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline
SMILESCCOCCNc1ccc(CCCl)cc1
InChIInChI=1S/C12H18ClNO/c1-2-15-10-9-14-12-5-3-11(4-6-12)7-8-13/h3-6,14H,2,7-10H2,1H3
InChIKeyWFASTZVHUMUDOJ-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.92
Rot. Bonds7

About 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline

4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline (PubChem CID 65024049) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline
PubChem CID65024049
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline
SMILESCCOCCNc1ccc(CCCl)cc1
InChIInChI=1S/C12H18ClNO/c1-2-15-10-9-14-12-5-3-11(4-6-12)7-8-13/h3-6,14H,2,7-10H2,1H3
InChIKeyWFASTZVHUMUDOJ-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.92
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

4-(2-chloroethyl)-N-pentylaniline
CID 65023933
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
N-[4-(2-chloroethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 107913689
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
4-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104567187
4-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65025631
4-(2-chloroethyl)-N-(2-ethylbutyl)aniline
CID 82923891
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
4-(2-chloroethyl)-N-(2-methylbutyl)aniline
CID 65024050
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline?
The IUPAC name of 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline (CID 65024049) is 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline.
What is the SMILES notation for 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline?
The canonical SMILES for 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline is CCOCCNc1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline?
The InChIKey is WFASTZVHUMUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-2-15-10-9-14-12-5-3-11(4-6-12)7-8-13/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline?
4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline has a molecular weight of 227.73 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline is sourced from PubChem (CID 65024049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).