5-(3-chloro-4-methoxyphenyl)-2-methylaniline

C14H14ClNO — CID 54912520

IUPAC5-(3-chloro-4-methoxyphenyl)-2-methylaniline
SMILESCOc1ccc(-c2ccc(C)c(N)c2)cc1Cl
InChIInChI=1S/C14H14ClNO/c1-9-3-4-11(8-13(9)16)10-5-6-14(17-2)12(15)7-10/h3-8H,16H2,1-2H3
InChIKeyKCAIZEWGBQAZRL-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.91
Rot. Bonds2

About 5-(3-chloro-4-methoxyphenyl)-2-methylaniline

5-(3-chloro-4-methoxyphenyl)-2-methylaniline (PubChem CID 54912520) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-2-methylaniline.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-2-methylaniline
PubChem CID54912520
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name5-(3-chloro-4-methoxyphenyl)-2-methylaniline
SMILESCOc1ccc(-c2ccc(C)c(N)c2)cc1Cl
InChIInChI=1S/C14H14ClNO/c1-9-3-4-11(8-13(9)16)10-5-6-14(17-2)12(15)7-10/h3-8H,16H2,1-2H3
InChIKeyKCAIZEWGBQAZRL-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

2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
CID 61025430
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573
(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 116551045
4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
CID 83167143
6-(3-chloro-4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556567
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
CID 82482114

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-2-methylaniline?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-2-methylaniline (CID 54912520) is 5-(3-chloro-4-methoxyphenyl)-2-methylaniline.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-2-methylaniline?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-2-methylaniline is COc1ccc(-c2ccc(C)c(N)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-2-methylaniline?
The InChIKey is KCAIZEWGBQAZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-3-4-11(8-13(9)16)10-5-6-14(17-2)12(15)7-10/h3-8H,16H2,1-2H3.
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-2-methylaniline?
5-(3-chloro-4-methoxyphenyl)-2-methylaniline 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 5-(3-chloro-4-methoxyphenyl)-2-methylaniline is sourced from PubChem (CID 54912520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).