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

C15H17NO — CID 12822803

IUPAC4-[(2,4-dimethylphenyl)methoxy]aniline
SMILESCc1ccc(COc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C15H17NO/c1-11-3-4-13(12(2)9-11)10-17-15-7-5-14(16)6-8-15/h3-9H,10,16H2,1-2H3
InChIKeyURBVCYOXNKNDIC-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.46
Rot. Bonds3

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

4-[(2,4-dimethylphenyl)methoxy]aniline (PubChem CID 12822803) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)methoxy]aniline
PubChem CID12822803
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[(2,4-dimethylphenyl)methoxy]aniline
SMILESCc1ccc(COc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C15H17NO/c1-11-3-4-13(12(2)9-11)10-17-15-7-5-14(16)6-8-15/h3-9H,10,16H2,1-2H3
InChIKeyURBVCYOXNKNDIC-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242
3-tert-butyl-5-[(2,4-dimethylphenyl)methoxy]phenol
CID 123661377
(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61481787
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
2-[(4-bromophenoxy)methyl]-5-methylphenol
CID 117221239
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
CID 61218955
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethylaniline
CID 12526906
4-[(2,4,5-trifluorophenyl)methoxy]aniline
CID 22137956
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)methoxy]aniline?
The IUPAC name of 4-[(2,4-dimethylphenyl)methoxy]aniline (CID 12822803) is 4-[(2,4-dimethylphenyl)methoxy]aniline.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)methoxy]aniline?
The canonical SMILES for 4-[(2,4-dimethylphenyl)methoxy]aniline is Cc1ccc(COc2ccc(N)cc2)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)methoxy]aniline?
The InChIKey is URBVCYOXNKNDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-3-4-13(12(2)9-11)10-17-15-7-5-14(16)6-8-15/h3-9H,10,16H2,1-2H3.
What are the key properties of 4-[(2,4-dimethylphenyl)methoxy]aniline?
4-[(2,4-dimethylphenyl)methoxy]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)methoxy]aniline is sourced from PubChem (CID 12822803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).