2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline

C15H16ClNO — CID 107607763

IUPAC2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline
SMILESCOc1c(-c2ccc(N)c(Cl)c2)ccc(C)c1C
InChIInChI=1S/C15H16ClNO/c1-9-4-6-12(15(18-3)10(9)2)11-5-7-14(17)13(16)8-11/h4-8H,17H2,1-3H3
InChIKeyXPHCXVQOLMIHMZ-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.21
Rot. Bonds2

About 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline

2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline (PubChem CID 107607763) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline
PubChem CID107607763
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline
SMILESCOc1c(-c2ccc(N)c(Cl)c2)ccc(C)c1C
InChIInChI=1S/C15H16ClNO/c1-9-4-6-12(15(18-3)10(9)2)11-5-7-14(17)13(16)8-11/h4-8H,17H2,1-3H3
InChIKeyXPHCXVQOLMIHMZ-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.21
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-4-(2-chloro-4,5-dimethylphenyl)aniline
CID 107607819
4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline
CID 103434076
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine
CID 115504339
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine
CID 103434429
2-(2-methoxy-3,4-dimethylphenyl)pyridin-4-amine
CID 103434063
1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501482
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride
CID 174602053
4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 103434577
2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 103434518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline?
The IUPAC name of 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline (CID 107607763) is 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline.
What is the SMILES notation for 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline?
The canonical SMILES for 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline is COc1c(-c2ccc(N)c(Cl)c2)ccc(C)c1C.
What is the InChIKey of 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline?
The InChIKey is XPHCXVQOLMIHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-9-4-6-12(15(18-3)10(9)2)11-5-7-14(17)13(16)8-11/h4-8H,17H2,1-3H3.
What are the key properties of 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline?
2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline has a molecular weight of 261.75 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline is sourced from PubChem (CID 107607763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).