2-(2-aminoethoxy)-3-chloroaniline

C8H11ClN2O — CID 122439573

IUPAC2-(2-aminoethoxy)-3-chloroaniline
SMILESNCCOc1c(N)cccc1Cl
InChIInChI=1S/C8H11ClN2O/c9-6-2-1-3-7(11)8(6)12-5-4-10/h1-3H,4-5,10-11H2
InChIKeyLFMZUKYGFRYPEH-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.26
Rot. Bonds3

About 2-(2-aminoethoxy)-3-chloroaniline

2-(2-aminoethoxy)-3-chloroaniline (PubChem CID 122439573) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-3-chloroaniline.

Molecular Properties

Compound Name2-(2-aminoethoxy)-3-chloroaniline
PubChem CID122439573
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(2-aminoethoxy)-3-chloroaniline
SMILESNCCOc1c(N)cccc1Cl
InChIInChI=1S/C8H11ClN2O/c9-6-2-1-3-7(11)8(6)12-5-4-10/h1-3H,4-5,10-11H2
InChIKeyLFMZUKYGFRYPEH-UHFFFAOYSA-N
XLogP1.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(2-fluoroethoxy)aniline
CID 107715740
3-chloro-2-propoxyaniline
CID 14618927
3-chloro-2-(2-phenylethoxy)aniline
CID 26189150
3-chloro-2-(3-phenoxypropoxy)aniline
CID 107715829
4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol
CID 107715982
methyl 4-(2-amino-6-chlorophenoxy)butanoate
CID 107715861
4-(2-amino-6-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 107715656
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
CID 39452119

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-3-chloroaniline?
The IUPAC name of 2-(2-aminoethoxy)-3-chloroaniline (CID 122439573) is 2-(2-aminoethoxy)-3-chloroaniline.
What is the SMILES notation for 2-(2-aminoethoxy)-3-chloroaniline?
The canonical SMILES for 2-(2-aminoethoxy)-3-chloroaniline is NCCOc1c(N)cccc1Cl.
What is the InChIKey of 2-(2-aminoethoxy)-3-chloroaniline?
The InChIKey is LFMZUKYGFRYPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-6-2-1-3-7(11)8(6)12-5-4-10/h1-3H,4-5,10-11H2.
What are the key properties of 2-(2-aminoethoxy)-3-chloroaniline?
2-(2-aminoethoxy)-3-chloroaniline has a molecular weight of 186.64 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-3-chloroaniline is sourced from PubChem (CID 122439573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).