N-(2-chlorophenyl)-2-methoxy-4-methylaniline

C14H14ClNO — CID 142713030

IUPACN-(2-chlorophenyl)-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1Nc1ccccc1Cl
InChIInChI=1S/C14H14ClNO/c1-10-7-8-13(14(9-10)17-2)16-12-6-4-3-5-11(12)15/h3-9,16H,1-2H3
InChIKeyOBICBASDJPBGBT-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.40
Rot. Bonds3

About N-(2-chlorophenyl)-2-methoxy-4-methylaniline

N-(2-chlorophenyl)-2-methoxy-4-methylaniline (PubChem CID 142713030) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methoxy-4-methylaniline
PubChem CID142713030
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC NameN-(2-chlorophenyl)-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1Nc1ccccc1Cl
InChIInChI=1S/C14H14ClNO/c1-10-7-8-13(14(9-10)17-2)16-12-6-4-3-5-11(12)15/h3-9,16H,1-2H3
InChIKeyOBICBASDJPBGBT-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063
2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
CID 107926886
3-N-(2-chlorophenyl)-5-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965788
2-chloro-6-(2-methoxy-5-methylanilino)benzenecarbothioamide
CID 62501918
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336963
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methoxy-4-methylaniline?
The IUPAC name of N-(2-chlorophenyl)-2-methoxy-4-methylaniline (CID 142713030) is N-(2-chlorophenyl)-2-methoxy-4-methylaniline.
What is the SMILES notation for N-(2-chlorophenyl)-2-methoxy-4-methylaniline?
The canonical SMILES for N-(2-chlorophenyl)-2-methoxy-4-methylaniline is COc1cc(C)ccc1Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-methoxy-4-methylaniline?
The InChIKey is OBICBASDJPBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-7-8-13(14(9-10)17-2)16-12-6-4-3-5-11(12)15/h3-9,16H,1-2H3.
What are the key properties of N-(2-chlorophenyl)-2-methoxy-4-methylaniline?
N-(2-chlorophenyl)-2-methoxy-4-methylaniline has a molecular weight of 247.72 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methoxy-4-methylaniline is sourced from PubChem (CID 142713030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).