2-[(2-chlorophenyl)methoxy]-5-methylaniline

C14H14ClNO — CID 39350494

IUPAC2-[(2-chlorophenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2ccccc2Cl)c(N)c1
InChIInChI=1S/C14H14ClNO/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8H,9,16H2,1H3
InChIKeyRWFYZRZNNNRQJL-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.81
Rot. Bonds3

About 2-[(2-chlorophenyl)methoxy]-5-methylaniline

2-[(2-chlorophenyl)methoxy]-5-methylaniline (PubChem CID 39350494) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-5-methylaniline
PubChem CID39350494
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-[(2-chlorophenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2ccccc2Cl)c(N)c1
InChIInChI=1S/C14H14ClNO/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8H,9,16H2,1H3
InChIKeyRWFYZRZNNNRQJL-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-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
1-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326375
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 60801804
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
2-[(2-chlorophenyl)methoxy]-6-methylaniline
CID 43438077

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-5-methylaniline?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-5-methylaniline (CID 39350494) is 2-[(2-chlorophenyl)methoxy]-5-methylaniline.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-5-methylaniline?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-5-methylaniline is Cc1ccc(OCc2ccccc2Cl)c(N)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-5-methylaniline?
The InChIKey is RWFYZRZNNNRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-5-methylaniline?
2-[(2-chlorophenyl)methoxy]-5-methylaniline 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 2-[(2-chlorophenyl)methoxy]-5-methylaniline is sourced from PubChem (CID 39350494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).