4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol

C16H27NO2 — CID 115217458

IUPAC4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
SMILESCOc1ccc(C(C)(C)C)cc1N(C)CCCCO
InChIInChI=1S/C16H27NO2/c1-16(2,3)13-8-9-15(19-5)14(12-13)17(4)10-6-7-11-18/h8-9,12,18H,6-7,10-11H2,1-5H3
InChIKeyQVKJAPVKRQZXCX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.20
Rot. Bonds6

About 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol

4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol (PubChem CID 115217458) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
PubChem CID115217458
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
SMILESCOc1ccc(C(C)(C)C)cc1N(C)CCCCO
InChIInChI=1S/C16H27NO2/c1-16(2,3)13-8-9-15(19-5)14(12-13)17(4)10-6-7-11-18/h8-9,12,18H,6-7,10-11H2,1-5H3
InChIKeyQVKJAPVKRQZXCX-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
5-tert-butyl-N-(2-chloroethyl)-2-methoxy-N-methylaniline
CID 115214686
5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline
CID 115258334
N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide
CID 115139672
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
CID 115217502
N-(5-tert-butyl-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193389
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
2-(5-tert-butyl-N,2-dimethylanilino)ethanol
CID 115216089
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol?
The IUPAC name of 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol (CID 115217458) is 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol.
What is the SMILES notation for 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol?
The canonical SMILES for 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol is COc1ccc(C(C)(C)C)cc1N(C)CCCCO.
What is the InChIKey of 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol?
The InChIKey is QVKJAPVKRQZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,3)13-8-9-15(19-5)14(12-13)17(4)10-6-7-11-18/h8-9,12,18H,6-7,10-11H2,1-5H3.
What are the key properties of 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol?
4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol is sourced from PubChem (CID 115217458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).