3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline

C15H16ClNO2 — CID 107627279

IUPAC3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline
SMILESCOc1ccc(-c2cccc(N)c2C)c(OC)c1Cl
InChIInChI=1S/C15H16ClNO2/c1-9-10(5-4-6-12(9)17)11-7-8-13(18-2)14(16)15(11)19-3/h4-8H,17H2,1-3H3
InChIKeyNGTNWXQPEARNIU-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.91
Rot. Bonds3

About 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline

3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline (PubChem CID 107627279) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline.

Molecular Properties

Compound Name3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline
PubChem CID107627279
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline
SMILESCOc1ccc(-c2cccc(N)c2C)c(OC)c1Cl
InChIInChI=1S/C15H16ClNO2/c1-9-10(5-4-6-12(9)17)11-7-8-13(18-2)14(16)15(11)19-3/h4-8H,17H2,1-3H3
InChIKeyNGTNWXQPEARNIU-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline?
The IUPAC name of 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline (CID 107627279) is 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline.
What is the SMILES notation for 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline?
The canonical SMILES for 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline is COc1ccc(-c2cccc(N)c2C)c(OC)c1Cl.
What is the InChIKey of 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline?
The InChIKey is NGTNWXQPEARNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-9-10(5-4-6-12(9)17)11-7-8-13(18-2)14(16)15(11)19-3/h4-8H,17H2,1-3H3.
What are the key properties of 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline?
3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline has a molecular weight of 277.75 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline is sourced from PubChem (CID 107627279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).