4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol

C14H23NO2 — CID 115217429

IUPAC4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
SMILESCOc1cc(C)c(NCCCCO)c(C)c1C
InChIInChI=1S/C14H23NO2/c1-10-9-13(17-4)11(2)12(3)14(10)15-7-5-6-8-16/h9,15-16H,5-8H2,1-4H3
InChIKeyMOMKIQCDYBXKEB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.80
Rot. Bonds6

About 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol

4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol (PubChem CID 115217429) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol.

Molecular Properties

Compound Name4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
PubChem CID115217429
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
SMILESCOc1cc(C)c(NCCCCO)c(C)c1C
InChIInChI=1S/C14H23NO2/c1-10-9-13(17-4)11(2)12(3)14(10)15-7-5-6-8-16/h9,15-16H,5-8H2,1-4H3
InChIKeyMOMKIQCDYBXKEB-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206306
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
CID 115225481
(4-methoxy-2,3,6-trimethylanilino)methanethiol
CID 115227686
2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol
CID 115133196
4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
CID 115217383
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
2-(5-hydroxypentylamino)-3-methoxyphenol
CID 18326935
3-(2,3,5,6-tetramethylanilino)propan-1-ol
CID 115216623
5-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]pentan-1-ol
CID 46982338
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)butane-1,4-diamine
CID 115201004
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol?
The IUPAC name of 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol (CID 115217429) is 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol.
What is the SMILES notation for 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol?
The canonical SMILES for 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol is COc1cc(C)c(NCCCCO)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol?
The InChIKey is MOMKIQCDYBXKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-9-13(17-4)11(2)12(3)14(10)15-7-5-6-8-16/h9,15-16H,5-8H2,1-4H3.
What are the key properties of 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol?
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol is sourced from PubChem (CID 115217429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).