5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol

C16H27NO2 — CID 83141611

IUPAC5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCC(C)C(C)(C)C)c(O)c1
InChIInChI=1S/C16H27NO2/c1-11(16(3,4)5)10-17-12(2)14-8-7-13(19-6)9-15(14)18/h7-9,11-12,17-18H,10H2,1-6H3
InChIKeyJJHNXGPRUMNHNT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.73
Rot. Bonds5

About 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol

5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol (PubChem CID 83141611) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
PubChem CID83141611
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NCC(C)C(C)(C)C)c(O)c1
InChIInChI=1S/C16H27NO2/c1-11(16(3,4)5)10-17-12(2)14-8-7-13(19-6)9-15(14)18/h7-9,11-12,17-18H,10H2,1-6H3
InChIKeyJJHNXGPRUMNHNT-UHFFFAOYSA-N
XLogP3.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]-5-methoxyphenol
CID 104582540
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
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2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860315
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol (CID 83141611) is 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol is COc1ccc(C(C)NCC(C)C(C)(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The InChIKey is JJHNXGPRUMNHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(16(3,4)5)10-17-12(2)14-8-7-13(19-6)9-15(14)18/h7-9,11-12,17-18H,10H2,1-6H3.
What are the key properties of 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol has a molecular weight of 265.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol is sourced from PubChem (CID 83141611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).