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

C10H14ClNO2 — CID 12914868

IUPAC4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
SMILESCl.NCC1(O)CCOc2ccccc21
InChIInChI=1S/C10H13NO2.ClH/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10;/h1-4,12H,5-7,11H2;1H
InChIKeyRFCPZINYUKLKDH-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.04
Rot. Bonds1

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

4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride (PubChem CID 12914868) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
PubChem CID12914868
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
SMILESCl.NCC1(O)CCOc2ccccc21
InChIInChI=1S/C10H13NO2.ClH/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10;/h1-4,12H,5-7,11H2;1H
InChIKeyRFCPZINYUKLKDH-UHFFFAOYSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.04
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;hydrochloride?
The IUPAC name of 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride (CID 12914868) is 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride is Cl.NCC1(O)CCOc2ccccc21.
What is the InChIKey of 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride?
The InChIKey is RFCPZINYUKLKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10;/h1-4,12H,5-7,11H2;1H.
What are the key properties of 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride?
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.04, 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;hydrochloride is sourced from PubChem (CID 12914868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).