2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol

C14H21NO2 — CID 104582377

IUPAC2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NCC2(O)CCC2)c(O)c1
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(13(16)8-10)11(2)15-9-14(17)6-3-7-14/h4-5,8,11,15-17H,3,6-7,9H2,1-2H3
InChIKeyIOWHNQXEYVWNGL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds4

About 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol

2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol (PubChem CID 104582377) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
PubChem CID104582377
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NCC2(O)CCC2)c(O)c1
InChIInChI=1S/C14H21NO2/c1-10-4-5-12(13(16)8-10)11(2)15-9-14(17)6-3-7-14/h4-5,8,11,15-17H,3,6-7,9H2,1-2H3
InChIKeyIOWHNQXEYVWNGL-UHFFFAOYSA-N
XLogP2.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
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-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
CID 104583457
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81131119
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol (CID 104582377) is 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol is Cc1ccc(C(C)NCC2(O)CCC2)c(O)c1.
What is the InChIKey of 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol?
The InChIKey is IOWHNQXEYVWNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-5-12(13(16)8-10)11(2)15-9-14(17)6-3-7-14/h4-5,8,11,15-17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol?
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol is sourced from PubChem (CID 104582377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).