5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine

C14H14N2O — CID 62492220

IUPAC5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
SMILESNc1ccc(-c2ccc3c(c2)CCCO3)cn1
InChIInChI=1S/C14H14N2O/c15-14-6-4-12(9-16-14)10-3-5-13-11(8-10)2-1-7-17-13/h3-6,8-9H,1-2,7H2,(H2,15,16)
InChIKeyXUQURUSICTYFOE-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.66
Rot. Bonds1

About 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine

5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine (PubChem CID 62492220) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
PubChem CID62492220
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
SMILESNc1ccc(-c2ccc3c(c2)CCCO3)cn1
InChIInChI=1S/C14H14N2O/c15-14-6-4-12(9-16-14)10-3-5-13-11(8-10)2-1-7-17-13/h3-6,8-9H,1-2,7H2,(H2,15,16)
InChIKeyXUQURUSICTYFOE-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine (CID 62492220) is 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine is Nc1ccc(-c2ccc3c(c2)CCCO3)cn1.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine?
The InChIKey is XUQURUSICTYFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-14-6-4-12(9-16-14)10-3-5-13-11(8-10)2-1-7-17-13/h3-6,8-9H,1-2,7H2,(H2,15,16).
What are the key properties of 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine?
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine has a molecular weight of 226.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine is sourced from PubChem (CID 62492220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).