2-[1-(3-aminoazetidin-1-yl)propyl]phenol

C12H18N2O — CID 65244387

IUPAC2-[1-(3-aminoazetidin-1-yl)propyl]phenol
SMILESCCC(c1ccccc1O)N1CC(N)C1
InChIInChI=1S/C12H18N2O/c1-2-11(14-7-9(13)8-14)10-5-3-4-6-12(10)15/h3-6,9,11,15H,2,7-8,13H2,1H3
InChIKeyKJANPKSZDGVALQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.49
Rot. Bonds3

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

2-[1-(3-aminoazetidin-1-yl)propyl]phenol (PubChem CID 65244387) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[1-(3-aminoazetidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name2-[1-(3-aminoazetidin-1-yl)propyl]phenol
PubChem CID65244387
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[1-(3-aminoazetidin-1-yl)propyl]phenol
SMILESCCC(c1ccccc1O)N1CC(N)C1
InChIInChI=1S/C12H18N2O/c1-2-11(14-7-9(13)8-14)10-5-3-4-6-12(10)15/h3-6,9,11,15H,2,7-8,13H2,1H3
InChIKeyKJANPKSZDGVALQ-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(1-aminoethyl)morpholin-4-yl]propyl]phenol
CID 115314981
4-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244836
2-[1-(3-methylpiperazin-1-yl)propyl]phenol
CID 65417239
2-[1-[4-(methoxymethyl)piperidin-1-yl]propyl]phenol
CID 82980997
2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
CID 80551485
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
2-[1-(4-propylpiperazin-1-yl)propyl]phenol
CID 82975217
2-[1-(3,3,4-trimethylpiperazin-1-yl)propyl]phenol
CID 82980842
2-[1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenol
CID 61019002
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
2-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]phenol
CID 82981782
1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
CID 65244316

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminoazetidin-1-yl)propyl]phenol?
The IUPAC name of 2-[1-(3-aminoazetidin-1-yl)propyl]phenol (CID 65244387) is 2-[1-(3-aminoazetidin-1-yl)propyl]phenol.
What is the SMILES notation for 2-[1-(3-aminoazetidin-1-yl)propyl]phenol?
The canonical SMILES for 2-[1-(3-aminoazetidin-1-yl)propyl]phenol is CCC(c1ccccc1O)N1CC(N)C1.
What is the InChIKey of 2-[1-(3-aminoazetidin-1-yl)propyl]phenol?
The InChIKey is KJANPKSZDGVALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-11(14-7-9(13)8-14)10-5-3-4-6-12(10)15/h3-6,9,11,15H,2,7-8,13H2,1H3.
What are the key properties of 2-[1-(3-aminoazetidin-1-yl)propyl]phenol?
2-[1-(3-aminoazetidin-1-yl)propyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminoazetidin-1-yl)propyl]phenol is sourced from PubChem (CID 65244387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).