4-[1-(3-aminoazetidin-1-yl)propyl]phenol

C12H18N2O — CID 65244836

IUPAC4-[1-(3-aminoazetidin-1-yl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CC(N)C1
InChIInChI=1S/C12H18N2O/c1-2-12(14-7-10(13)8-14)9-3-5-11(15)6-4-9/h3-6,10,12,15H,2,7-8,13H2,1H3
InChIKeyZLVALAXEQYMNJB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.49
Rot. Bonds3

About 4-[1-(3-aminoazetidin-1-yl)propyl]phenol

4-[1-(3-aminoazetidin-1-yl)propyl]phenol (PubChem CID 65244836) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[1-(3-aminoazetidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[1-(3-aminoazetidin-1-yl)propyl]phenol
PubChem CID65244836
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[1-(3-aminoazetidin-1-yl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CC(N)C1
InChIInChI=1S/C12H18N2O/c1-2-12(14-7-10(13)8-14)9-3-5-11(15)6-4-9/h3-6,10,12,15H,2,7-8,13H2,1H3
InChIKeyZLVALAXEQYMNJB-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

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Related Compounds

2-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244387
4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 63595309
4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol
CID 82979976
4-[1-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)propyl]phenol
CID 102678369
2-[1-[1-(4-methylphenyl)propyl]azetidin-3-yl]acetic acid
CID 65069237
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
CID 65244438
4-[1-(3-methoxypiperidin-1-yl)propyl]phenol
CID 102969248
4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol
CID 82966219
1-[1-(4-methylphenyl)propyl]piperidin-3-amine
CID 61297923
4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol
CID 82983105
1-[1-(3-nitrophenyl)propyl]azetidin-3-amine
CID 65244856
[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
CID 75386168

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminoazetidin-1-yl)propyl]phenol?
The IUPAC name of 4-[1-(3-aminoazetidin-1-yl)propyl]phenol (CID 65244836) is 4-[1-(3-aminoazetidin-1-yl)propyl]phenol.
What is the SMILES notation for 4-[1-(3-aminoazetidin-1-yl)propyl]phenol?
The canonical SMILES for 4-[1-(3-aminoazetidin-1-yl)propyl]phenol is CCC(c1ccc(O)cc1)N1CC(N)C1.
What is the InChIKey of 4-[1-(3-aminoazetidin-1-yl)propyl]phenol?
The InChIKey is ZLVALAXEQYMNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-12(14-7-10(13)8-14)9-3-5-11(15)6-4-9/h3-6,10,12,15H,2,7-8,13H2,1H3.
What are the key properties of 4-[1-(3-aminoazetidin-1-yl)propyl]phenol?
4-[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 4-[1-(3-aminoazetidin-1-yl)propyl]phenol is sourced from PubChem (CID 65244836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).