4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline

C13H21NO2 — CID 116501292

IUPAC4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
SMILESCOCC(C)CNc1ccc(OC)cc1C
InChIInChI=1S/C13H21NO2/c1-10(9-15-3)8-14-13-6-5-12(16-4)7-11(13)2/h5-7,10,14H,8-9H2,1-4H3
InChIKeyUGZXYWIUPBZVKT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.70
Rot. Bonds6

About 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline

4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline (PubChem CID 116501292) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline.

Molecular Properties

Compound Name4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
PubChem CID116501292
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
SMILESCOCC(C)CNc1ccc(OC)cc1C
InChIInChI=1S/C13H21NO2/c1-10(9-15-3)8-14-13-6-5-12(16-4)7-11(13)2/h5-7,10,14H,8-9H2,1-4H3
InChIKeyUGZXYWIUPBZVKT-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116500771
2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501353
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 116500897
4-methoxy-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 62872602
N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline
CID 54856285
2-chloro-N-(3-methoxy-2-methylpropyl)-4-methylaniline
CID 116500841
4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
CID 94885289
N-(2-ethoxyethyl)-4-methoxy-2-methylaniline
CID 62872971
2-acetamido-3-(4-methoxy-2-methylanilino)propanoic acid
CID 64582681
2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
CID 62871696
4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880846
4-methoxy-2-methyl-N-nonylaniline
CID 63492120

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline?
The IUPAC name of 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline (CID 116501292) is 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline.
What is the SMILES notation for 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline?
The canonical SMILES for 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline is COCC(C)CNc1ccc(OC)cc1C.
What is the InChIKey of 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline?
The InChIKey is UGZXYWIUPBZVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-15-3)8-14-13-6-5-12(16-4)7-11(13)2/h5-7,10,14H,8-9H2,1-4H3.
What are the key properties of 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline?
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline has a molecular weight of 223.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline is sourced from PubChem (CID 116501292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).