5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol

C15H25NO2 — CID 43371792

IUPAC5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NC(C)CC(C)C)c(O)c1
InChIInChI=1S/C15H25NO2/c1-10(2)8-11(3)16-12(4)14-7-6-13(18-5)9-15(14)17/h6-7,9-12,16-17H,8H2,1-5H3
InChIKeyHIOYWFAQIPRZQV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.49
Rot. Bonds6

About 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol

5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol (PubChem CID 43371792) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
PubChem CID43371792
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NC(C)CC(C)C)c(O)c1
InChIInChI=1S/C15H25NO2/c1-10(2)8-11(3)16-12(4)14-7-6-13(18-5)9-15(14)17/h6-7,9-12,16-17H,8H2,1-5H3
InChIKeyHIOYWFAQIPRZQV-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.49
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

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5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
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2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409
5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
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5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
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5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 54950564
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol (CID 43371792) is 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol is COc1ccc(C(C)NC(C)CC(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol?
The InChIKey is HIOYWFAQIPRZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)8-11(3)16-12(4)14-7-6-13(18-5)9-15(14)17/h6-7,9-12,16-17H,8H2,1-5H3.
What are the key properties of 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol?
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43371792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).