2-chloro-5-methoxy-3,4,6-trimethylaniline

C10H14ClNO — CID 10655623

IUPAC2-chloro-5-methoxy-3,4,6-trimethylaniline
SMILESCOc1c(C)c(C)c(Cl)c(N)c1C
InChIInChI=1S/C10H14ClNO/c1-5-6(2)10(13-4)7(3)9(12)8(5)11/h12H2,1-4H3
InChIKeyUIFMCMRPROCBOE-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.86
Rot. Bonds1

About 2-chloro-5-methoxy-3,4,6-trimethylaniline

2-chloro-5-methoxy-3,4,6-trimethylaniline (PubChem CID 10655623) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-5-methoxy-3,4,6-trimethylaniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-3,4,6-trimethylaniline
PubChem CID10655623
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-5-methoxy-3,4,6-trimethylaniline
SMILESCOc1c(C)c(C)c(Cl)c(N)c1C
InChIInChI=1S/C10H14ClNO/c1-5-6(2)10(13-4)7(3)9(12)8(5)11/h12H2,1-4H3
InChIKeyUIFMCMRPROCBOE-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.86
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-amino-3-chloro-5-methoxy-4,6-dimethylphenol
CID 84670347
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
N'-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 115195272
2,4,6-trichloro-3,5-dimethylaniline
CID 130155317
1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
CID 116964849
1-chloro-3-(1,1-difluoroethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841612
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
5-chloro-2-methoxy-N',3,4,6-tetramethylbenzenecarboximidamide
CID 116827842
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
2-amino-2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116830570
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-3,4,6-trimethylaniline?
The IUPAC name of 2-chloro-5-methoxy-3,4,6-trimethylaniline (CID 10655623) is 2-chloro-5-methoxy-3,4,6-trimethylaniline.
What is the SMILES notation for 2-chloro-5-methoxy-3,4,6-trimethylaniline?
The canonical SMILES for 2-chloro-5-methoxy-3,4,6-trimethylaniline is COc1c(C)c(C)c(Cl)c(N)c1C.
What is the InChIKey of 2-chloro-5-methoxy-3,4,6-trimethylaniline?
The InChIKey is UIFMCMRPROCBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-5-6(2)10(13-4)7(3)9(12)8(5)11/h12H2,1-4H3.
What are the key properties of 2-chloro-5-methoxy-3,4,6-trimethylaniline?
2-chloro-5-methoxy-3,4,6-trimethylaniline has a molecular weight of 199.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-3,4,6-trimethylaniline is sourced from PubChem (CID 10655623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).