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

C14H14ClNO — CID 19624539

IUPAC5-chloro-2-[(4-methylphenyl)methoxy]aniline
SMILESCc1ccc(COc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C14H14ClNO/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8H,9,16H2,1H3
InChIKeyLOQYOKQVWRQGQQ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.81
Rot. Bonds3

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

5-chloro-2-[(4-methylphenyl)methoxy]aniline (PubChem CID 19624539) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-2-[(4-methylphenyl)methoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[(4-methylphenyl)methoxy]aniline
PubChem CID19624539
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name5-chloro-2-[(4-methylphenyl)methoxy]aniline
SMILESCc1ccc(COc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C14H14ClNO/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8H,9,16H2,1H3
InChIKeyLOQYOKQVWRQGQQ-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.81
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-[(4-tert-butylphenyl)methoxy]-5-chloroaniline
CID 28521783
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
4-chloro-2-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 114323054
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]-(4-methylphenyl)diazene
CID 10736623
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-methylphenyl)methoxy]aniline?
The IUPAC name of 5-chloro-2-[(4-methylphenyl)methoxy]aniline (CID 19624539) is 5-chloro-2-[(4-methylphenyl)methoxy]aniline.
What is the SMILES notation for 5-chloro-2-[(4-methylphenyl)methoxy]aniline?
The canonical SMILES for 5-chloro-2-[(4-methylphenyl)methoxy]aniline is Cc1ccc(COc2ccc(Cl)cc2N)cc1.
What is the InChIKey of 5-chloro-2-[(4-methylphenyl)methoxy]aniline?
The InChIKey is LOQYOKQVWRQGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8H,9,16H2,1H3.
What are the key properties of 5-chloro-2-[(4-methylphenyl)methoxy]aniline?
5-chloro-2-[(4-methylphenyl)methoxy]aniline has a molecular weight of 247.73 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-methylphenyl)methoxy]aniline is sourced from PubChem (CID 19624539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).