3-(anilinomethyl)azetidin-3-ol

C10H14N2O — CID 69111462

IUPAC3-(anilinomethyl)azetidin-3-ol
SMILESOC1(CNc2ccccc2)CNC1
InChIInChI=1S/C10H14N2O/c13-10(6-11-7-10)8-12-9-4-2-1-3-5-9/h1-5,11-13H,6-8H2
InChIKeyBYHLSTZMGBMXAY-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.43
Rot. Bonds3

About 3-(anilinomethyl)azetidin-3-ol

3-(anilinomethyl)azetidin-3-ol (PubChem CID 69111462) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(anilinomethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(anilinomethyl)azetidin-3-ol
PubChem CID69111462
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(anilinomethyl)azetidin-3-ol
SMILESOC1(CNc2ccccc2)CNC1
InChIInChI=1S/C10H14N2O/c13-10(6-11-7-10)8-12-9-4-2-1-3-5-9/h1-5,11-13H,6-8H2
InChIKeyBYHLSTZMGBMXAY-UHFFFAOYSA-N
XLogP0.43
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(anilinomethyl)piperidin-4-ol
CID 56773843
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018
3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol
CID 105464057
3-[(4-methoxyanilino)methyl]pyrrolidin-3-ol
CID 105479226
3-[(3-methylanilino)methyl]pyrrolidin-3-ol
CID 105459326
3-benzylazetidin-3-ol;hydrochloride
CID 67974163
3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
CID 68555934
2,3-difluoro-4-[(3-hydroxyazetidin-3-yl)methylamino]benzoic acid
CID 114189738
1-(anilinomethyl)-4-propylcyclohexan-1-ol
CID 114999848
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654
N,N'-diphenylmethanediamine;ethane-1,2-diol
CID 160711297
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-phenylpropanamide
CID 114760630

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)azetidin-3-ol?
The IUPAC name of 3-(anilinomethyl)azetidin-3-ol (CID 69111462) is 3-(anilinomethyl)azetidin-3-ol.
What is the SMILES notation for 3-(anilinomethyl)azetidin-3-ol?
The canonical SMILES for 3-(anilinomethyl)azetidin-3-ol is OC1(CNc2ccccc2)CNC1.
What is the InChIKey of 3-(anilinomethyl)azetidin-3-ol?
The InChIKey is BYHLSTZMGBMXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10(6-11-7-10)8-12-9-4-2-1-3-5-9/h1-5,11-13H,6-8H2.
What are the key properties of 3-(anilinomethyl)azetidin-3-ol?
3-(anilinomethyl)azetidin-3-ol has a molecular weight of 178.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)azetidin-3-ol is sourced from PubChem (CID 69111462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).