3-chloro-2-(3,5-dimethylphenoxy)aniline

C14H14ClNO — CID 26189205

IUPAC3-chloro-2-(3,5-dimethylphenoxy)aniline
SMILESCc1cc(C)cc(Oc2c(N)cccc2Cl)c1
InChIInChI=1S/C14H14ClNO/c1-9-6-10(2)8-11(7-9)17-14-12(15)4-3-5-13(14)16/h3-8H,16H2,1-2H3
InChIKeyXAUCWMSZKYYXPK-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.33
Rot. Bonds2

About 3-chloro-2-(3,5-dimethylphenoxy)aniline

3-chloro-2-(3,5-dimethylphenoxy)aniline (PubChem CID 26189205) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 3-chloro-2-(3,5-dimethylphenoxy)aniline.

Molecular Properties

Compound Name3-chloro-2-(3,5-dimethylphenoxy)aniline
PubChem CID26189205
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name3-chloro-2-(3,5-dimethylphenoxy)aniline
SMILESCc1cc(C)cc(Oc2c(N)cccc2Cl)c1
InChIInChI=1S/C14H14ClNO/c1-9-6-10(2)8-11(7-9)17-14-12(15)4-3-5-13(14)16/h3-8H,16H2,1-2H3
InChIKeyXAUCWMSZKYYXPK-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

3-chloro-2-(3,5-dimethylphenoxy)benzoic acid
CID 114067369
3-(2-amino-6-chlorophenoxy)-5-methoxybenzonitrile
CID 103566366
3-chloro-2-(4-iodophenoxy)aniline
CID 43144713
methyl 3-amino-2-(3,5-dimethylphenoxy)benzoate
CID 115935607
2-(4-butylphenoxy)-3-chloroaniline
CID 115492204
3-chloro-2-(2,6-dimethylpyrimidin-4-yl)oxyaniline
CID 107717861
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
3-chloro-2-(2,5-dichlorophenoxy)aniline
CID 29030363
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 107717898
3-chloro-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 107717858

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,5-dimethylphenoxy)aniline?
The IUPAC name of 3-chloro-2-(3,5-dimethylphenoxy)aniline (CID 26189205) is 3-chloro-2-(3,5-dimethylphenoxy)aniline.
What is the SMILES notation for 3-chloro-2-(3,5-dimethylphenoxy)aniline?
The canonical SMILES for 3-chloro-2-(3,5-dimethylphenoxy)aniline is Cc1cc(C)cc(Oc2c(N)cccc2Cl)c1.
What is the InChIKey of 3-chloro-2-(3,5-dimethylphenoxy)aniline?
The InChIKey is XAUCWMSZKYYXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-6-10(2)8-11(7-9)17-14-12(15)4-3-5-13(14)16/h3-8H,16H2,1-2H3.
What are the key properties of 3-chloro-2-(3,5-dimethylphenoxy)aniline?
3-chloro-2-(3,5-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 3-chloro-2-(3,5-dimethylphenoxy)aniline is sourced from PubChem (CID 26189205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).