3-(4-chloro-2-methylphenoxy)-5-methylaniline

C14H14ClNO — CID 112648317

IUPAC3-(4-chloro-2-methylphenoxy)-5-methylaniline
SMILESCc1cc(N)cc(Oc2ccc(Cl)cc2C)c1
InChIInChI=1S/C14H14ClNO/c1-9-5-12(16)8-13(6-9)17-14-4-3-11(15)7-10(14)2/h3-8H,16H2,1-2H3
InChIKeyTUHNVZBLDCWAOX-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.33
Rot. Bonds2

About 3-(4-chloro-2-methylphenoxy)-5-methylaniline

3-(4-chloro-2-methylphenoxy)-5-methylaniline (PubChem CID 112648317) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenoxy)-5-methylaniline.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenoxy)-5-methylaniline
PubChem CID112648317
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name3-(4-chloro-2-methylphenoxy)-5-methylaniline
SMILESCc1cc(N)cc(Oc2ccc(Cl)cc2C)c1
InChIInChI=1S/C14H14ClNO/c1-9-5-12(16)8-13(6-9)17-14-4-3-11(15)7-10(14)2/h3-8H,16H2,1-2H3
InChIKeyTUHNVZBLDCWAOX-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-(3,5-dichlorophenoxy)-5-methylaniline
CID 112648434
3-(2-chloro-4-fluorophenoxy)-5-methylaniline
CID 112648439
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
3-(2-ethylphenoxy)-5-methylaniline
CID 112648419
3-(4-bromo-2-methylphenoxy)-5-methoxyaniline
CID 80749253
3-(2-bromo-4-chlorophenoxy)-5-ethoxyaniline
CID 80747933
(4-chloro-2-methylphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 19172651
3-(2,4-dichlorophenoxy)-5-propoxyaniline
CID 80748821

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenoxy)-5-methylaniline?
The IUPAC name of 3-(4-chloro-2-methylphenoxy)-5-methylaniline (CID 112648317) is 3-(4-chloro-2-methylphenoxy)-5-methylaniline.
What is the SMILES notation for 3-(4-chloro-2-methylphenoxy)-5-methylaniline?
The canonical SMILES for 3-(4-chloro-2-methylphenoxy)-5-methylaniline is Cc1cc(N)cc(Oc2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-(4-chloro-2-methylphenoxy)-5-methylaniline?
The InChIKey is TUHNVZBLDCWAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-5-12(16)8-13(6-9)17-14-4-3-11(15)7-10(14)2/h3-8H,16H2,1-2H3.
What are the key properties of 3-(4-chloro-2-methylphenoxy)-5-methylaniline?
3-(4-chloro-2-methylphenoxy)-5-methylaniline 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-(4-chloro-2-methylphenoxy)-5-methylaniline is sourced from PubChem (CID 112648317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).