1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol

C16H23NO2 — CID 79135110

IUPAC1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)C1(CN)CC2CCC1O2
InChIInChI=1S/C16H23NO2/c1-2-16(18,12-6-4-3-5-7-12)15(11-17)10-13-8-9-14(15)19-13/h3-7,13-14,18H,2,8-11,17H2,1H3
InChIKeyKVJIKKXGOLLRET-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol

1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol (PubChem CID 79135110) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol
PubChem CID79135110
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)C1(CN)CC2CCC1O2
InChIInChI=1S/C16H23NO2/c1-2-16(18,12-6-4-3-5-7-12)15(11-17)10-13-8-9-14(15)19-13/h3-7,13-14,18H,2,8-11,17H2,1H3
InChIKeyKVJIKKXGOLLRET-UHFFFAOYSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]pentan-3-ol
CID 79126659
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-cyclopropylpropan-1-ol
CID 79123715
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]heptan-2-ol
CID 80560354
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-(4-methoxyphenyl)propan-2-ol
CID 79125867
2-(2-hydroxy-2-phenylpropyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79425213
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
CID 79135824
2-(2,2-difluoro-2-phenylethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 116790869
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
CID 79135925
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol
CID 79125512
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
CID 79134639
[(4S,5R)-2,2-diethyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol
CID 27794609
1-[1-(aminomethyl)cyclopentyl]-1-phenylbutan-1-ol
CID 79135376

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol (CID 79135110) is 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol is CCC(O)(c1ccccc1)C1(CN)CC2CCC1O2.
What is the InChIKey of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol?
The InChIKey is KVJIKKXGOLLRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-16(18,12-6-4-3-5-7-12)15(11-17)10-13-8-9-14(15)19-13/h3-7,13-14,18H,2,8-11,17H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol?
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 79135110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).