2-chloro-4-methoxy-6-methylaniline

C8H10ClNO — CID 12909337

IUPAC2-chloro-4-methoxy-6-methylaniline
SMILESCOc1cc(C)c(N)c(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-5-3-6(11-2)4-7(9)8(5)10/h3-4H,10H2,1-2H3
InChIKeyVTAFYYPOEPDODM-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-4-methoxy-6-methylaniline

2-chloro-4-methoxy-6-methylaniline (PubChem CID 12909337) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-methylaniline.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-methylaniline
PubChem CID12909337
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-chloro-4-methoxy-6-methylaniline
SMILESCOc1cc(C)c(N)c(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-5-3-6(11-2)4-7(9)8(5)10/h3-4H,10H2,1-2H3
InChIKeyVTAFYYPOEPDODM-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.24
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

2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
2-chloro-4-methoxy-6-methylphenol
CID 122163446
2-chloro-4-methoxy-N,6-dimethylaniline
CID 23348982
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylideneamino]aniline
CID 13064576
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
2-chloro-5-methoxy-3-methylphenol
CID 144544904
(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
CID 117302321
2,6-dibromo-4-methoxyaniline
CID 542895
2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-methylaniline?
The IUPAC name of 2-chloro-4-methoxy-6-methylaniline (CID 12909337) is 2-chloro-4-methoxy-6-methylaniline.
What is the SMILES notation for 2-chloro-4-methoxy-6-methylaniline?
The canonical SMILES for 2-chloro-4-methoxy-6-methylaniline is COc1cc(C)c(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-6-methylaniline?
The InChIKey is VTAFYYPOEPDODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-5-3-6(11-2)4-7(9)8(5)10/h3-4H,10H2,1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-methylaniline?
2-chloro-4-methoxy-6-methylaniline has a molecular weight of 171.63 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-methylaniline is sourced from PubChem (CID 12909337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).