N-methoxy-2,6-dimethylaniline

C9H13NO — CID 142628906

IUPACN-methoxy-2,6-dimethylaniline
SMILESCONc1c(C)cccc1C
InChIInChI=1S/C9H13NO/c1-7-5-4-6-8(2)9(7)10-11-3/h4-6,10H,1-3H3
InChIKeyZANPGJRHZLTAOT-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.28
Rot. Bonds2

About N-methoxy-2,6-dimethylaniline

N-methoxy-2,6-dimethylaniline (PubChem CID 142628906) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-methoxy-2,6-dimethylaniline.

Molecular Properties

Compound NameN-methoxy-2,6-dimethylaniline
PubChem CID142628906
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-methoxy-2,6-dimethylaniline
SMILESCONc1c(C)cccc1C
InChIInChI=1S/C9H13NO/c1-7-5-4-6-8(2)9(7)10-11-3/h4-6,10H,1-3H3
InChIKeyZANPGJRHZLTAOT-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-4-methoxy-2,6-dimethylaniline
CID 146163191
N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline
CID 134485374
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
1-N,2-N-bis(2,6-dimethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 86003268
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
N-ethyl-2-methoxy-6-methylaniline
CID 22769655
N-(1-methoxypropan-2-yl)-2,6-dimethylaniline
CID 10899497
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
CID 11032416
CID 11032416

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,6-dimethylaniline?
The IUPAC name of N-methoxy-2,6-dimethylaniline (CID 142628906) is N-methoxy-2,6-dimethylaniline.
What is the SMILES notation for N-methoxy-2,6-dimethylaniline?
The canonical SMILES for N-methoxy-2,6-dimethylaniline is CONc1c(C)cccc1C.
What is the InChIKey of N-methoxy-2,6-dimethylaniline?
The InChIKey is ZANPGJRHZLTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-5-4-6-8(2)9(7)10-11-3/h4-6,10H,1-3H3.
What are the key properties of N-methoxy-2,6-dimethylaniline?
N-methoxy-2,6-dimethylaniline has a molecular weight of 151.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,6-dimethylaniline is sourced from PubChem (CID 142628906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).