2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline

C15H16ClNO — CID 106861432

IUPAC2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2ccc(C)cc2Cl)c(N)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-5-12(13(16)7-10)9-18-15-6-4-11(2)8-14(15)17/h3-8H,9,17H2,1-2H3
InChIKeyDJKXMTMPVGLEJI-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.12
Rot. Bonds3

About 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline

2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline (PubChem CID 106861432) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
PubChem CID106861432
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2ccc(C)cc2Cl)c(N)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-5-12(13(16)7-10)9-18-15-6-4-11(2)8-14(15)17/h3-8H,9,17H2,1-2H3
InChIKeyDJKXMTMPVGLEJI-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

2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline
CID 106861452
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline (CID 106861432) is 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline is Cc1ccc(OCc2ccc(C)cc2Cl)c(N)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline?
The InChIKey is DJKXMTMPVGLEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-5-12(13(16)7-10)9-18-15-6-4-11(2)8-14(15)17/h3-8H,9,17H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline?
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline 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 2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline is sourced from PubChem (CID 106861432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).