3,4-dihydro-2H-chromen-8-amine;hydrochloride

C9H12ClNO — CID 75480944

IUPAC3,4-dihydro-2H-chromen-8-amine;hydrochloride
SMILESCl.Nc1cccc2c1OCCC2
InChIInChI=1S/C9H11NO.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5H,2,4,6,10H2;1H
InChIKeyGPDTUFWANODKIC-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.02
Rot. Bonds

About 3,4-dihydro-2H-chromen-8-amine;hydrochloride

3,4-dihydro-2H-chromen-8-amine;hydrochloride (PubChem CID 75480944) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-amine;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-amine;hydrochloride
PubChem CID75480944
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3,4-dihydro-2H-chromen-8-amine;hydrochloride
SMILESCl.Nc1cccc2c1OCCC2
InChIInChI=1S/C9H11NO.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5H,2,4,6,10H2;1H
InChIKeyGPDTUFWANODKIC-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-amine;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-chromen-8-amine;hydrochloride (CID 75480944) is 3,4-dihydro-2H-chromen-8-amine;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-amine;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-amine;hydrochloride is Cl.Nc1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-amine;hydrochloride?
The InChIKey is GPDTUFWANODKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5H,2,4,6,10H2;1H.
What are the key properties of 3,4-dihydro-2H-chromen-8-amine;hydrochloride?
3,4-dihydro-2H-chromen-8-amine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-amine;hydrochloride is sourced from PubChem (CID 75480944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).