4-amino-2-(azetidin-1-ylmethyl)phenol

C10H14N2O — CID 130546739

IUPAC4-amino-2-(azetidin-1-ylmethyl)phenol
SMILESNc1ccc(O)c(CN2CCC2)c1
InChIInChI=1S/C10H14N2O/c11-9-2-3-10(13)8(6-9)7-12-4-1-5-12/h2-3,6,13H,1,4-5,7,11H2
InChIKeyFBDJFGQVGBVGNF-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.18
Rot. Bonds2

About 4-amino-2-(azetidin-1-ylmethyl)phenol

4-amino-2-(azetidin-1-ylmethyl)phenol (PubChem CID 130546739) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-amino-2-(azetidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-amino-2-(azetidin-1-ylmethyl)phenol
PubChem CID130546739
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-amino-2-(azetidin-1-ylmethyl)phenol
SMILESNc1ccc(O)c(CN2CCC2)c1
InChIInChI=1S/C10H14N2O/c11-9-2-3-10(13)8(6-9)7-12-4-1-5-12/h2-3,6,13H,1,4-5,7,11H2
InChIKeyFBDJFGQVGBVGNF-UHFFFAOYSA-N
XLogP1.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(5-amino-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004194
1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 43375641
4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol
CID 55050237
4-amino-2-[[4-(2,2-dimethoxyethyl)piperazin-1-yl]methyl]phenol
CID 155403079
4-amino-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 62988425
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
CID 46240407
4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 43375473
tert-butyl 4-[(5-amino-2-hydroxyphenyl)methyl]piperazine-1-carboxylate
CID 104933485
4-fluoro-2-[[3-[(5-fluoro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71535785
N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736031

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(azetidin-1-ylmethyl)phenol?
The IUPAC name of 4-amino-2-(azetidin-1-ylmethyl)phenol (CID 130546739) is 4-amino-2-(azetidin-1-ylmethyl)phenol.
What is the SMILES notation for 4-amino-2-(azetidin-1-ylmethyl)phenol?
The canonical SMILES for 4-amino-2-(azetidin-1-ylmethyl)phenol is Nc1ccc(O)c(CN2CCC2)c1.
What is the InChIKey of 4-amino-2-(azetidin-1-ylmethyl)phenol?
The InChIKey is FBDJFGQVGBVGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9-2-3-10(13)8(6-9)7-12-4-1-5-12/h2-3,6,13H,1,4-5,7,11H2.
What are the key properties of 4-amino-2-(azetidin-1-ylmethyl)phenol?
4-amino-2-(azetidin-1-ylmethyl)phenol has a molecular weight of 178.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(azetidin-1-ylmethyl)phenol is sourced from PubChem (CID 130546739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).