2-amino-2-(1-benzylazetidin-3-yl)ethanol

C12H18N2O — CID 83908918

IUPAC2-amino-2-(1-benzylazetidin-3-yl)ethanol
SMILESNC(CO)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C12H18N2O/c13-12(9-15)11-7-14(8-11)6-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,13H2
InChIKeyWAYABWNUNYQPRA-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.44
Rot. Bonds4

About 2-amino-2-(1-benzylazetidin-3-yl)ethanol

2-amino-2-(1-benzylazetidin-3-yl)ethanol (PubChem CID 83908918) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-2-(1-benzylazetidin-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1-benzylazetidin-3-yl)ethanol
PubChem CID83908918
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-2-(1-benzylazetidin-3-yl)ethanol
SMILESNC(CO)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C12H18N2O/c13-12(9-15)11-7-14(8-11)6-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,13H2
InChIKeyWAYABWNUNYQPRA-UHFFFAOYSA-N
XLogP0.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980822
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol
CID 71647998
(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 97174994
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-benzyl-5-(difluoromethyl)piperidin-3-ol
CID 126716011
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-benzylazetidin-3-yl)ethanol?
The IUPAC name of 2-amino-2-(1-benzylazetidin-3-yl)ethanol (CID 83908918) is 2-amino-2-(1-benzylazetidin-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1-benzylazetidin-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(1-benzylazetidin-3-yl)ethanol is NC(CO)C1CN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-2-(1-benzylazetidin-3-yl)ethanol?
The InChIKey is WAYABWNUNYQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12(9-15)11-7-14(8-11)6-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,13H2.
What are the key properties of 2-amino-2-(1-benzylazetidin-3-yl)ethanol?
2-amino-2-(1-benzylazetidin-3-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-benzylazetidin-3-yl)ethanol is sourced from PubChem (CID 83908918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).