3,4-dihydro-2H-chromen-2-amine

C9H11NO — CID 20627838

IUPAC3,4-dihydro-2H-chromen-2-amine
SMILESNC1CCc2ccccc2O1
InChIInChI=1S/C9H11NO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,9H,5-6,10H2
InChIKeyWRANTHLMINRHTR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.30
Rot. Bonds

About 3,4-dihydro-2H-chromen-2-amine

3,4-dihydro-2H-chromen-2-amine (PubChem CID 20627838) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-amine
PubChem CID20627838
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3,4-dihydro-2H-chromen-2-amine
SMILESNC1CCc2ccccc2O1
InChIInChI=1S/C9H11NO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,9H,5-6,10H2
InChIKeyWRANTHLMINRHTR-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-amine?
The IUPAC name of 3,4-dihydro-2H-chromen-2-amine (CID 20627838) is 3,4-dihydro-2H-chromen-2-amine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-amine?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-amine is NC1CCc2ccccc2O1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-amine?
The InChIKey is WRANTHLMINRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,9H,5-6,10H2.
What are the key properties of 3,4-dihydro-2H-chromen-2-amine?
3,4-dihydro-2H-chromen-2-amine has a molecular weight of 149.19 g/mol, XLogP of 1.30, 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-2-amine is sourced from PubChem (CID 20627838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).