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

C14H23NO3 — CID 115137309

IUPAC2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol
SMILESCOc1ccc(NC(CO)C(C)C)c(OC)c1C
InChIInChI=1S/C14H23NO3/c1-9(2)12(8-16)15-11-6-7-13(17-4)10(3)14(11)18-5/h6-7,9,12,15-16H,8H2,1-5H3
InChIKeyDGDKZXSJBAJNFI-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.44
Rot. Bonds6

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

2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol (PubChem CID 115137309) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol
PubChem CID115137309
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol
SMILESCOc1ccc(NC(CO)C(C)C)c(OC)c1C
InChIInChI=1S/C14H23NO3/c1-9(2)12(8-16)15-11-6-7-13(17-4)10(3)14(11)18-5/h6-7,9,12,15-16H,8H2,1-5H3
InChIKeyDGDKZXSJBAJNFI-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'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
CID 115217383
3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 79254161
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
2-(2-chloro-4-methoxyanilino)-3-methylbutan-1-ol
CID 115137311
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
4-(2,4-dimethoxy-3-methylanilino)-2-methylbutanoic acid
CID 115220535
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
CID 115194384
N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
CID 115166939

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol?
The IUPAC name of 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol (CID 115137309) is 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol is COc1ccc(NC(CO)C(C)C)c(OC)c1C.
What is the InChIKey of 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol?
The InChIKey is DGDKZXSJBAJNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)12(8-16)15-11-6-7-13(17-4)10(3)14(11)18-5/h6-7,9,12,15-16H,8H2,1-5H3.
What are the key properties of 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol?
2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-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 2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 115137309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).