2-chloro-6-(3,4-dimethylphenoxy)aniline

C14H14ClNO — CID 104834930

IUPAC2-chloro-6-(3,4-dimethylphenoxy)aniline
SMILESCc1ccc(Oc2cccc(Cl)c2N)cc1C
InChIInChI=1S/C14H14ClNO/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3
InChIKeyAZLLCACGPYBRLQ-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.33
Rot. Bonds2

About 2-chloro-6-(3,4-dimethylphenoxy)aniline

2-chloro-6-(3,4-dimethylphenoxy)aniline (PubChem CID 104834930) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-6-(3,4-dimethylphenoxy)aniline.

Molecular Properties

Compound Name2-chloro-6-(3,4-dimethylphenoxy)aniline
PubChem CID104834930
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-chloro-6-(3,4-dimethylphenoxy)aniline
SMILESCc1ccc(Oc2cccc(Cl)c2N)cc1C
InChIInChI=1S/C14H14ClNO/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3
InChIKeyAZLLCACGPYBRLQ-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline
CID 113458730
2-chloro-6-(2,3,5-trimethylphenoxy)aniline
CID 113458731
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
ethyl 2-amino-3-(4-chloro-3-methylphenoxy)benzoate
CID 115546867
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
CID 81166108
2-chloro-6-(2,5-dichlorophenoxy)aniline
CID 113458716
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,4-dimethylphenoxy)aniline?
The IUPAC name of 2-chloro-6-(3,4-dimethylphenoxy)aniline (CID 104834930) is 2-chloro-6-(3,4-dimethylphenoxy)aniline.
What is the SMILES notation for 2-chloro-6-(3,4-dimethylphenoxy)aniline?
The canonical SMILES for 2-chloro-6-(3,4-dimethylphenoxy)aniline is Cc1ccc(Oc2cccc(Cl)c2N)cc1C.
What is the InChIKey of 2-chloro-6-(3,4-dimethylphenoxy)aniline?
The InChIKey is AZLLCACGPYBRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-chloro-6-(3,4-dimethylphenoxy)aniline?
2-chloro-6-(3,4-dimethylphenoxy)aniline has a molecular weight of 247.72 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-dimethylphenoxy)aniline is sourced from PubChem (CID 104834930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).