4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline

C16H18ClNO2 — CID 83002698

IUPAC4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
SMILESCc1ccc(Oc2ccc(N)c(OC(C)C)c2)c(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-10(2)19-16-9-12(5-6-14(16)18)20-15-7-4-11(3)8-13(15)17/h4-10H,18H2,1-3H3
InChIKeyJJIOJTXUVWAJSN-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.81
Rot. Bonds4

About 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline

4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline (PubChem CID 83002698) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
PubChem CID83002698
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
SMILESCc1ccc(Oc2ccc(N)c(OC(C)C)c2)c(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-10(2)19-16-9-12(5-6-14(16)18)20-15-7-4-11(3)8-13(15)17/h4-10H,18H2,1-3H3
InChIKeyJJIOJTXUVWAJSN-UHFFFAOYSA-N
XLogP4.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenoxy)-2-propan-2-yloxyaniline
CID 83002626
2-propan-2-yloxy-4-(2,3,5-trimethylphenoxy)aniline
CID 83005527
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
CID 83001907
1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 104613311
6-(2-chloro-5-methylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262611
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
2-(2-chloro-4-methylphenoxy)-5-propan-2-yloxyphenol;2,4-dichloro-1-(4-chloro-2-propan-2-yloxyphenoxy)benzene
CID 160882184
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
2-bromo-4-(2-chloro-4-methylphenoxy)benzenecarbothioamide
CID 107278376
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline (CID 83002698) is 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline is Cc1ccc(Oc2ccc(N)c(OC(C)C)c2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline?
The InChIKey is JJIOJTXUVWAJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10(2)19-16-9-12(5-6-14(16)18)20-15-7-4-11(3)8-13(15)17/h4-10H,18H2,1-3H3.
What are the key properties of 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline?
4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline has a molecular weight of 291.78 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).