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

C10H14ClNO — CID 116963021

IUPAC5-chloro-2-methoxy-3,4,6-trimethylaniline
SMILESCOc1c(C)c(C)c(Cl)c(C)c1N
InChIInChI=1S/C10H14ClNO/c1-5-6(2)10(13-4)9(12)7(3)8(5)11/h12H2,1-4H3
InChIKeyBTCZJMPGVILROX-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.86
Rot. Bonds1

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

5-chloro-2-methoxy-3,4,6-trimethylaniline (PubChem CID 116963021) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3,4,6-trimethylaniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-3,4,6-trimethylaniline
PubChem CID116963021
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name5-chloro-2-methoxy-3,4,6-trimethylaniline
SMILESCOc1c(C)c(C)c(Cl)c(C)c1N
InChIInChI=1S/C10H14ClNO/c1-5-6(2)10(13-4)9(12)7(3)8(5)11/h12H2,1-4H3
InChIKeyBTCZJMPGVILROX-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

6-chloro-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 42625343
3-Chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
1-Chloro-2,3,6-trimethyl-5-nitro-4-(trifluoromethoxy)benzene
CID 54294573
5-Chloro-3,4-dimethyl-2-(trifluoromethoxy)aniline
CID 54515122
5-chloro-2,2,4,6-tetramethyl-7-nitro-3H-1-benzofuran
CID 10978052
5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
CID 15269222
3-Chloro-6-methoxy-2,4-dimethylaniline
CID 82053312
2-Methoxy-3,4,6-trimethylaniline
CID 116963019
5-Chloro-2-methoxy-3,4,6-triphenylaniline
CID 139791413
3-Chloro-4,5-diethyl-6-methoxybenzene-1,2-diamine
CID 151022525
2-Chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
5-Chloro-2-methoxy-3,6-dimethylaniline
CID 82266689

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3,4,6-trimethylaniline?
The IUPAC name of 5-chloro-2-methoxy-3,4,6-trimethylaniline (CID 116963021) is 5-chloro-2-methoxy-3,4,6-trimethylaniline.
What is the SMILES notation for 5-chloro-2-methoxy-3,4,6-trimethylaniline?
The canonical SMILES for 5-chloro-2-methoxy-3,4,6-trimethylaniline is COc1c(C)c(C)c(Cl)c(C)c1N.
What is the InChIKey of 5-chloro-2-methoxy-3,4,6-trimethylaniline?
The InChIKey is BTCZJMPGVILROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-5-6(2)10(13-4)9(12)7(3)8(5)11/h12H2,1-4H3.
What are the key properties of 5-chloro-2-methoxy-3,4,6-trimethylaniline?
5-chloro-2-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 5-chloro-2-methoxy-3,4,6-trimethylaniline is sourced from PubChem (CID 116963021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).