3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol

C13H19NO3 — CID 81134353

IUPAC3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
SMILESCOc1cccc(C(O)CNC2CC(O)C2)c1
InChIInChI=1S/C13H19NO3/c1-17-12-4-2-3-9(5-12)13(16)8-14-10-6-11(15)7-10/h2-5,10-11,13-16H,6-8H2,1H3
InChIKeyLINWWBRHAKBNAW-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.84
Rot. Bonds5

About 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol

3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol (PubChem CID 81134353) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
PubChem CID81134353
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
SMILESCOc1cccc(C(O)CNC2CC(O)C2)c1
InChIInChI=1S/C13H19NO3/c1-17-12-4-2-3-9(5-12)13(16)8-14-10-6-11(15)7-10/h2-5,10-11,13-16H,6-8H2,1H3
InChIKeyLINWWBRHAKBNAW-UHFFFAOYSA-N
XLogP0.84
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
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2-[[3-(3-methoxyphenyl)cyclobutyl]amino]-1-thiophen-3-ylethanol
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methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
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1-[3-(difluoromethoxy)phenyl]-2-[(2,6-dimethyloxan-4-yl)amino]ethanol
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1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
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N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol (CID 81134353) is 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol is COc1cccc(C(O)CNC2CC(O)C2)c1.
What is the InChIKey of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol?
The InChIKey is LINWWBRHAKBNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-17-12-4-2-3-9(5-12)13(16)8-14-10-6-11(15)7-10/h2-5,10-11,13-16H,6-8H2,1H3.
What are the key properties of 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol?
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 81134353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).