4-(4-chloro-2-methoxy-5-methylphenyl)aniline

C14H14ClNO — CID 82039615

IUPAC4-(4-chloro-2-methoxy-5-methylphenyl)aniline
SMILESCOc1cc(Cl)c(C)cc1-c1ccc(N)cc1
InChIInChI=1S/C14H14ClNO/c1-9-7-12(14(17-2)8-13(9)15)10-3-5-11(16)6-4-10/h3-8H,16H2,1-2H3
InChIKeyILKYEMIMKVRSNB-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.91
Rot. Bonds2

About 4-(4-chloro-2-methoxy-5-methylphenyl)aniline

4-(4-chloro-2-methoxy-5-methylphenyl)aniline (PubChem CID 82039615) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylphenyl)aniline.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylphenyl)aniline
PubChem CID82039615
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name4-(4-chloro-2-methoxy-5-methylphenyl)aniline
SMILESCOc1cc(Cl)c(C)cc1-c1ccc(N)cc1
InChIInChI=1S/C14H14ClNO/c1-9-7-12(14(17-2)8-13(9)15)10-3-5-11(16)6-4-10/h3-8H,16H2,1-2H3
InChIKeyILKYEMIMKVRSNB-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine
CID 82541451
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
CID 82540716
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
CID 39396844
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
4-(5-chloro-2-methoxy-4-methylphenyl)-5-methylthiophen-2-amine
CID 82487478

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)aniline?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)aniline (CID 82039615) is 4-(4-chloro-2-methoxy-5-methylphenyl)aniline.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylphenyl)aniline?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylphenyl)aniline is COc1cc(Cl)c(C)cc1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylphenyl)aniline?
The InChIKey is ILKYEMIMKVRSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-7-12(14(17-2)8-13(9)15)10-3-5-11(16)6-4-10/h3-8H,16H2,1-2H3.
What are the key properties of 4-(4-chloro-2-methoxy-5-methylphenyl)aniline?
4-(4-chloro-2-methoxy-5-methylphenyl)aniline has a molecular weight of 247.72 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylphenyl)aniline is sourced from PubChem (CID 82039615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).