3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline

C11H17ClN2O — CID 166159167

IUPAC3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline
SMILESCc1c(Cl)cc(N)cc1OCCN(C)C
InChIInChI=1S/C11H17ClN2O/c1-8-10(12)6-9(13)7-11(8)15-5-4-14(2)3/h6-7H,4-5,13H2,1-3H3
InChIKeyZEWORBYHPQJHTO-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.17
Rot. Bonds4

About 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline

3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline (PubChem CID 166159167) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline
PubChem CID166159167
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline
SMILESCc1c(Cl)cc(N)cc1OCCN(C)C
InChIInChI=1S/C11H17ClN2O/c1-8-10(12)6-9(13)7-11(8)15-5-4-14(2)3/h6-7H,4-5,13H2,1-3H3
InChIKeyZEWORBYHPQJHTO-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline?
The IUPAC name of 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline (CID 166159167) is 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline.
What is the SMILES notation for 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline?
The canonical SMILES for 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline is Cc1c(Cl)cc(N)cc1OCCN(C)C.
What is the InChIKey of 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline?
The InChIKey is ZEWORBYHPQJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8-10(12)6-9(13)7-11(8)15-5-4-14(2)3/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline?
3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline has a molecular weight of 228.72 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(dimethylamino)ethoxy]-4-methylaniline is sourced from PubChem (CID 166159167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).