2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol

C13H17NO2 — CID 117194095

IUPAC2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol
SMILESNCC1C2CCC(O2)C1c1ccccc1O
InChIInChI=1S/C13H17NO2/c14-7-9-11-5-6-12(16-11)13(9)8-3-1-2-4-10(8)15/h1-4,9,11-13,15H,5-7,14H2
InChIKeyGLASCYZUZNQSTA-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.61
Rot. Bonds2

About 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol

2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol (PubChem CID 117194095) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol
PubChem CID117194095
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol
SMILESNCC1C2CCC(O2)C1c1ccccc1O
InChIInChI=1S/C13H17NO2/c14-7-9-11-5-6-12(16-11)13(9)8-3-1-2-4-10(8)15/h1-4,9,11-13,15H,5-7,14H2
InChIKeyGLASCYZUZNQSTA-UHFFFAOYSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 117194090
[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 117194142
[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride
CID 45273960
2-(2,3-dibromocyclopropyl)phenol
CID 21403439
2-(dioxiran-3-yl)phenol
CID 87283547
[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine
CID 70430746
2-(2,3-dichlorocyclopropyl)phenol
CID 69048040
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
(3R)-3-[(1S,2R,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-3H-2-benzofuran-1-one
CID 57155742
[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
CID 96542205
2-[4-(aminomethyl)-1,1-dioxothiolan-3-yl]phenol
CID 84801049
2-[[(1S,2R,3R,4R)-3-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenol
CID 22843168

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol?
The IUPAC name of 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol (CID 117194095) is 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol.
What is the SMILES notation for 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol?
The canonical SMILES for 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol is NCC1C2CCC(O2)C1c1ccccc1O.
What is the InChIKey of 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol?
The InChIKey is GLASCYZUZNQSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-7-9-11-5-6-12(16-11)13(9)8-3-1-2-4-10(8)15/h1-4,9,11-13,15H,5-7,14H2.
What are the key properties of 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol?
2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol has a molecular weight of 219.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol is sourced from PubChem (CID 117194095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).