4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol

C15H23NO3 — CID 114629015

IUPAC4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC2CC(O)C2(C)C)ccc1O
InChIInChI=1S/C15H23NO3/c1-9(16-13-8-14(18)15(13,2)3)10-5-6-11(17)12(7-10)19-4/h5-7,9,13-14,16-18H,8H2,1-4H3
InChIKeyGMNUAYYCWLPCLF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.21
Rot. Bonds4

About 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol

4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol (PubChem CID 114629015) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol
PubChem CID114629015
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC2CC(O)C2(C)C)ccc1O
InChIInChI=1S/C15H23NO3/c1-9(16-13-8-14(18)15(13,2)3)10-5-6-11(17)12(7-10)19-4/h5-7,9,13-14,16-18H,8H2,1-4H3
InChIKeyGMNUAYYCWLPCLF-UHFFFAOYSA-N
XLogP2.21
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenol
CID 43373375
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977664
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
CID 103952229
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107238193
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
CID 43752358
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol (CID 114629015) is 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol is COc1cc(C(C)NC2CC(O)C2(C)C)ccc1O.
What is the InChIKey of 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol?
The InChIKey is GMNUAYYCWLPCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(16-13-8-14(18)15(13,2)3)10-5-6-11(17)12(7-10)19-4/h5-7,9,13-14,16-18H,8H2,1-4H3.
What are the key properties of 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol?
4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol has a molecular weight of 265.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 114629015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).