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

C10H13NO2 — CID 12914867

IUPAC4-(aminomethyl)-2,3-dihydrochromen-4-ol
SMILESNCC1(O)CCOc2ccccc21
InChIInChI=1S/C10H13NO2/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2
InChIKeyLJIMCZDPGHYLKP-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.62
Rot. Bonds1

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

4-(aminomethyl)-2,3-dihydrochromen-4-ol (PubChem CID 12914867) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(aminomethyl)-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2,3-dihydrochromen-4-ol
PubChem CID12914867
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(aminomethyl)-2,3-dihydrochromen-4-ol
SMILESNCC1(O)CCOc2ccccc21
InChIInChI=1S/C10H13NO2/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2
InChIKeyLJIMCZDPGHYLKP-UHFFFAOYSA-N
XLogP0.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,3-dihydrochromen-4-ol?
The IUPAC name of 4-(aminomethyl)-2,3-dihydrochromen-4-ol (CID 12914867) is 4-(aminomethyl)-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 4-(aminomethyl)-2,3-dihydrochromen-4-ol?
The canonical SMILES for 4-(aminomethyl)-2,3-dihydrochromen-4-ol is NCC1(O)CCOc2ccccc21.
What is the InChIKey of 4-(aminomethyl)-2,3-dihydrochromen-4-ol?
The InChIKey is LJIMCZDPGHYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2.
What are the key properties of 4-(aminomethyl)-2,3-dihydrochromen-4-ol?
4-(aminomethyl)-2,3-dihydrochromen-4-ol has a molecular weight of 179.22 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 12914867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).