(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride

C11H16ClNO2 — CID 74889940

IUPAC(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
SMILESCOc1ccc2c(c1)OCC(CN)C2.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10;/h2-3,5,8H,4,6-7,12H2,1H3;1H
InChIKeyNDNBPQWGYUOFMI-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.63
Rot. Bonds2

About (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride

(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride (PubChem CID 74889940) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
PubChem CID74889940
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
SMILESCOc1ccc2c(c1)OCC(CN)C2.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10;/h2-3,5,8H,4,6-7,12H2,1H3;1H
InChIKeyNDNBPQWGYUOFMI-UHFFFAOYSA-N
XLogP1.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride?
The IUPAC name of (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride (CID 74889940) is (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride is COc1ccc2c(c1)OCC(CN)C2.Cl.
What is the InChIKey of (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride?
The InChIKey is NDNBPQWGYUOFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10;/h2-3,5,8H,4,6-7,12H2,1H3;1H.
What are the key properties of (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride?
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 74889940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).