1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol

C13H21NO3 — CID 115136773

IUPAC1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
SMILESCOc1cc(C)c(NCC(C)(C)O)cc1OC
InChIInChI=1S/C13H21NO3/c1-9-6-11(16-4)12(17-5)7-10(9)14-8-13(2,3)15/h6-7,14-15H,8H2,1-5H3
InChIKeyIIGPOSMVRAMGDE-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.20
Rot. Bonds5

About 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol

1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol (PubChem CID 115136773) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
PubChem CID115136773
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
SMILESCOc1cc(C)c(NCC(C)(C)O)cc1OC
InChIInChI=1S/C13H21NO3/c1-9-6-11(16-4)12(17-5)7-10(9)14-8-13(2,3)15/h6-7,14-15H,8H2,1-5H3
InChIKeyIIGPOSMVRAMGDE-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-dimethoxy-2-nitroanilino)-2-methylpropan-2-ol
CID 83008395
1-(4,5-dimethoxy-2-methylanilino)propan-2-one
CID 115234469
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
methyl 3-[(2-hydroxy-2-methylpropyl)amino]-4-methylbenzoate
CID 22287213
3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134461
2-methyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propan-2-ol
CID 115136774
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
N-hexyl-4,5-dimethoxy-2-methylaniline
CID 43228540
1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
CID 82126628
N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60789912

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol (CID 115136773) is 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol is COc1cc(C)c(NCC(C)(C)O)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol?
The InChIKey is IIGPOSMVRAMGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-6-11(16-4)12(17-5)7-10(9)14-8-13(2,3)15/h6-7,14-15H,8H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol?
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 115136773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).