1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol

C13H19NO2 — CID 131701718

IUPAC1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol
SMILESOCCN(CC1(O)CCC1)c1ccccc1
InChIInChI=1S/C13H19NO2/c15-10-9-14(11-13(16)7-4-8-13)12-5-2-1-3-6-12/h1-3,5-6,15-16H,4,7-11H2
InChIKeyBZDVXIQAOZLWHJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.40
Rot. Bonds5

About 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol

1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol (PubChem CID 131701718) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol
PubChem CID131701718
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol
SMILESOCCN(CC1(O)CCC1)c1ccccc1
InChIInChI=1S/C13H19NO2/c15-10-9-14(11-13(16)7-4-8-13)12-5-2-1-3-6-12/h1-3,5-6,15-16H,4,7-11H2
InChIKeyBZDVXIQAOZLWHJ-UHFFFAOYSA-N
XLogP1.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol (CID 131701718) is 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol is OCCN(CC1(O)CCC1)c1ccccc1.
What is the InChIKey of 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol?
The InChIKey is BZDVXIQAOZLWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-10-9-14(11-13(16)7-4-8-13)12-5-2-1-3-6-12/h1-3,5-6,15-16H,4,7-11H2.
What are the key properties of 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol?
1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[N-(2-hydroxyethyl)anilino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 131701718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).