2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol

C14H23NO4 — CID 115133331

IUPAC2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol
SMILESCOc1cc(N(C)C(C)(C)CO)cc(OC)c1OC
InChIInChI=1S/C14H23NO4/c1-14(2,9-16)15(3)10-7-11(17-4)13(19-6)12(8-10)18-5/h7-8,16H,9H2,1-6H3
InChIKeyOJWRWEAAPPMJPB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.92
Rot. Bonds6

About 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol

2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol (PubChem CID 115133331) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol
PubChem CID115133331
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol
SMILESCOc1cc(N(C)C(C)(C)CO)cc(OC)c1OC
InChIInChI=1S/C14H23NO4/c1-14(2,9-16)15(3)10-7-11(17-4)13(19-6)12(8-10)18-5/h7-8,16H,9H2,1-6H3
InChIKeyOJWRWEAAPPMJPB-UHFFFAOYSA-N
XLogP1.92
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
CID 113475430
3-(4-methoxy-N,3,5-trimethylanilino)-3-methylbutanoic acid
CID 117042389
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
2-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 113475510
3-(3-bromo-4-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133943
2-(6-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117321978
5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethoxybenzaldehyde
CID 117349266

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol?
The IUPAC name of 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol (CID 115133331) is 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol?
The canonical SMILES for 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol is COc1cc(N(C)C(C)(C)CO)cc(OC)c1OC.
What is the InChIKey of 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol?
The InChIKey is OJWRWEAAPPMJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2,9-16)15(3)10-7-11(17-4)13(19-6)12(8-10)18-5/h7-8,16H,9H2,1-6H3.
What are the key properties of 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol?
2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol is sourced from PubChem (CID 115133331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).