2-[(2-chlorophenyl)methoxy]-6-methylaniline

C14H14ClNO — CID 43438077

IUPAC2-[(2-chlorophenyl)methoxy]-6-methylaniline
SMILESCc1cccc(OCc2ccccc2Cl)c1N
InChIInChI=1S/C14H14ClNO/c1-10-5-4-8-13(14(10)16)17-9-11-6-2-3-7-12(11)15/h2-8H,9,16H2,1H3
InChIKeyJHCKLMSBRCGJJG-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.81
Rot. Bonds3

About 2-[(2-chlorophenyl)methoxy]-6-methylaniline

2-[(2-chlorophenyl)methoxy]-6-methylaniline (PubChem CID 43438077) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-6-methylaniline.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-6-methylaniline
PubChem CID43438077
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-[(2-chlorophenyl)methoxy]-6-methylaniline
SMILESCc1cccc(OCc2ccccc2Cl)c1N
InChIInChI=1S/C14H14ClNO/c1-10-5-4-8-13(14(10)16)17-9-11-6-2-3-7-12(11)15/h2-8H,9,16H2,1H3
InChIKeyJHCKLMSBRCGJJG-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-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416
(2-methylphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2457678
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
CID 23590539
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-6-methylaniline?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-6-methylaniline (CID 43438077) is 2-[(2-chlorophenyl)methoxy]-6-methylaniline.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-6-methylaniline?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-6-methylaniline is Cc1cccc(OCc2ccccc2Cl)c1N.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-6-methylaniline?
The InChIKey is JHCKLMSBRCGJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-5-4-8-13(14(10)16)17-9-11-6-2-3-7-12(11)15/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-6-methylaniline?
2-[(2-chlorophenyl)methoxy]-6-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]-6-methylaniline is sourced from PubChem (CID 43438077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).