3-[3-amino-2-(azetidin-1-yl)propyl]phenol

C12H18N2O — CID 84722321

IUPAC3-[3-amino-2-(azetidin-1-yl)propyl]phenol
SMILESNCC(Cc1cccc(O)c1)N1CCC1
InChIInChI=1S/C12H18N2O/c13-9-11(14-5-2-6-14)7-10-3-1-4-12(15)8-10/h1,3-4,8,11,15H,2,5-7,9,13H2
InChIKeyPBZQVGFVGCIRJG-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.97
Rot. Bonds4

About 3-[3-amino-2-(azetidin-1-yl)propyl]phenol

3-[3-amino-2-(azetidin-1-yl)propyl]phenol (PubChem CID 84722321) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[3-amino-2-(azetidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name3-[3-amino-2-(azetidin-1-yl)propyl]phenol
PubChem CID84722321
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[3-amino-2-(azetidin-1-yl)propyl]phenol
SMILESNCC(Cc1cccc(O)c1)N1CCC1
InChIInChI=1S/C12H18N2O/c13-9-11(14-5-2-6-14)7-10-3-1-4-12(15)8-10/h1,3-4,8,11,15H,2,5-7,9,13H2
InChIKeyPBZQVGFVGCIRJG-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
(2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid
CID 138550489
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 82090875
2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 55157460
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
CID 62885238
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
3-(2-sulfanylpropyl)phenol
CID 115013475
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 121304863

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-2-(azetidin-1-yl)propyl]phenol?
The IUPAC name of 3-[3-amino-2-(azetidin-1-yl)propyl]phenol (CID 84722321) is 3-[3-amino-2-(azetidin-1-yl)propyl]phenol.
What is the SMILES notation for 3-[3-amino-2-(azetidin-1-yl)propyl]phenol?
The canonical SMILES for 3-[3-amino-2-(azetidin-1-yl)propyl]phenol is NCC(Cc1cccc(O)c1)N1CCC1.
What is the InChIKey of 3-[3-amino-2-(azetidin-1-yl)propyl]phenol?
The InChIKey is PBZQVGFVGCIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-11(14-5-2-6-14)7-10-3-1-4-12(15)8-10/h1,3-4,8,11,15H,2,5-7,9,13H2.
What are the key properties of 3-[3-amino-2-(azetidin-1-yl)propyl]phenol?
3-[3-amino-2-(azetidin-1-yl)propyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-2-(azetidin-1-yl)propyl]phenol is sourced from PubChem (CID 84722321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).