4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol

C12H17NO2 — CID 84675315

IUPAC4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol
SMILESCC1(C)CC(CN)c2cccc(O)c2O1
InChIInChI=1S/C12H17NO2/c1-12(2)6-8(7-13)9-4-3-5-10(14)11(9)15-12/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeySTZASJLYQFWWQY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.00
Rot. Bonds1

About 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol

4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol (PubChem CID 84675315) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol
PubChem CID84675315
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol
SMILESCC1(C)CC(CN)c2cccc(O)c2O1
InChIInChI=1S/C12H17NO2/c1-12(2)6-8(7-13)9-4-3-5-10(14)11(9)15-12/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeySTZASJLYQFWWQY-UHFFFAOYSA-N
XLogP2.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol?
The IUPAC name of 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol (CID 84675315) is 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol.
What is the SMILES notation for 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol?
The canonical SMILES for 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol is CC1(C)CC(CN)c2cccc(O)c2O1.
What is the InChIKey of 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol?
The InChIKey is STZASJLYQFWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2)6-8(7-13)9-4-3-5-10(14)11(9)15-12/h3-5,8,14H,6-7,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol?
4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol has a molecular weight of 207.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol is sourced from PubChem (CID 84675315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).