1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol

C14H23NO3 — CID 115136932

IUPAC1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
SMILESCOc1cc(C)c(N(C)CC(C)(C)O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-10-7-11(17-5)8-12(18-6)13(10)15(4)9-14(2,3)16/h7-8,16H,9H2,1-6H3
InChIKeyXGCSWTYJUHPPMK-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds5

About 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol

1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol (PubChem CID 115136932) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
PubChem CID115136932
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
SMILESCOc1cc(C)c(N(C)CC(C)(C)O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-10-7-11(17-5)8-12(18-6)13(10)15(4)9-14(2,3)16/h7-8,16H,9H2,1-6H3
InChIKeyXGCSWTYJUHPPMK-UHFFFAOYSA-N
XLogP2.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
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

2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
CID 115194561
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242157
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162936
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
CID 115235550
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid
CID 117384014

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol (CID 115136932) is 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol is COc1cc(C)c(N(C)CC(C)(C)O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol?
The InChIKey is XGCSWTYJUHPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-7-11(17-5)8-12(18-6)13(10)15(4)9-14(2,3)16/h7-8,16H,9H2,1-6H3.
What are the key properties of 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol?
1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 115136932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).