3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol

C14H23NO3 — CID 115135137

IUPAC3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(NCC(C)(C)CO)c(OC)c1C
InChIInChI=1S/C14H23NO3/c1-10-12(17-4)7-6-11(13(10)18-5)15-8-14(2,3)9-16/h6-7,15-16H,8-9H2,1-5H3
InChIKeyVCONTSRZLSEOMP-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.44
Rot. Bonds6

About 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol

3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 115135137) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
PubChem CID115135137
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(NCC(C)(C)CO)c(OC)c1C
InChIInChI=1S/C14H23NO3/c1-10-12(17-4)7-6-11(13(10)18-5)15-8-14(2,3)9-16/h6-7,15-16H,8-9H2,1-5H3
InChIKeyVCONTSRZLSEOMP-UHFFFAOYSA-N
XLogP2.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.44
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

N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199816
4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
CID 115217383
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135121
3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769
2-(2,4-dimethoxy-3-methylanilino)-2-methylpropanoic acid
CID 115127771
3-(2,4-dimethoxy-3-methylanilino)propanenitrile
CID 115230671
4-(2,4-dimethoxy-3-methylanilino)butanoic acid
CID 115218452
2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol
CID 115137309
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
4-(2,4-dimethoxy-3-methylanilino)-2-methylbutanoic acid
CID 115220535
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol (CID 115135137) is 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol is COc1ccc(NCC(C)(C)CO)c(OC)c1C.
What is the InChIKey of 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is VCONTSRZLSEOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-12(17-4)7-6-11(13(10)18-5)15-8-14(2,3)9-16/h6-7,15-16H,8-9H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol?
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).