5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline

C15H16ClNO — CID 82133164

IUPAC5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
SMILESCc1ccc(COc2ccc(Cl)cc2N)c(C)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-4-12(11(2)7-10)9-18-15-6-5-13(16)8-14(15)17/h3-8H,9,17H2,1-2H3
InChIKeyPIGGEDGBDGNUDQ-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.12
Rot. Bonds3

About 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline

5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline (PubChem CID 82133164) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
PubChem CID82133164
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
SMILESCc1ccc(COc2ccc(Cl)cc2N)c(C)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-4-12(11(2)7-10)9-18-15-6-5-13(16)8-14(15)17/h3-8H,9,17H2,1-2H3
InChIKeyPIGGEDGBDGNUDQ-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.12
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

4-[(2-amino-4-chlorophenoxy)methyl]-3-methylbenzonitrile
CID 114478962
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline?
The IUPAC name of 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline (CID 82133164) is 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline.
What is the SMILES notation for 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline?
The canonical SMILES for 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline is Cc1ccc(COc2ccc(Cl)cc2N)c(C)c1.
What is the InChIKey of 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline?
The InChIKey is PIGGEDGBDGNUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-4-12(11(2)7-10)9-18-15-6-5-13(16)8-14(15)17/h3-8H,9,17H2,1-2H3.
What are the key properties of 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline?
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline has a molecular weight of 261.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline is sourced from PubChem (CID 82133164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).