2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol

C17H20N2O2 — CID 65244608

IUPAC2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol
SMILESCOc1ccc(C(c2ccccc2)N2CC(N)C2)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-21-14-7-8-15(16(20)9-14)17(19-10-13(18)11-19)12-5-3-2-4-6-12/h2-9,13,17,20H,10-11,18H2,1H3
InChIKeyTWYZQWVLRJMGQZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds4

About 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol

2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol (PubChem CID 65244608) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol
PubChem CID65244608
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol
SMILESCOc1ccc(C(c2ccccc2)N2CC(N)C2)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-21-14-7-8-15(16(20)9-14)17(19-10-13(18)11-19)12-5-3-2-4-6-12/h2-9,13,17,20H,10-11,18H2,1H3
InChIKeyTWYZQWVLRJMGQZ-UHFFFAOYSA-N
XLogP2.13
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminoazetidin-1-yl)-phenylmethyl]benzene-1,2,3-triol
CID 65244616
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
CID 65244438
1-[(2,4-dimethylphenyl)-phenylmethyl]azetidin-3-amine
CID 65244615
2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol
CID 174990296
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine
CID 65244855
2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
CID 132917189

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol?
The IUPAC name of 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol (CID 65244608) is 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol?
The canonical SMILES for 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol is COc1ccc(C(c2ccccc2)N2CC(N)C2)c(O)c1.
What is the InChIKey of 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol?
The InChIKey is TWYZQWVLRJMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-14-7-8-15(16(20)9-14)17(19-10-13(18)11-19)12-5-3-2-4-6-12/h2-9,13,17,20H,10-11,18H2,1H3.
What are the key properties of 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol?
2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol has a molecular weight of 284.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoazetidin-1-yl)-phenylmethyl]-5-methoxyphenol is sourced from PubChem (CID 65244608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).