(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine

C11H16N2O — CID 131081672

IUPAC(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine
SMILESCCc1ccc(N)c2c1OCC[C@H]2N
InChIInChI=1S/C11H16N2O/c1-2-7-3-4-8(12)10-9(13)5-6-14-11(7)10/h3-4,9H,2,5-6,12-13H2,1H3/t9-/m1/s1
InChIKeyFHASXXOLYKCBCK-SECBINFHSA-N
MW192.26 g/mol
LogP1.61
Rot. Bonds1

About (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine

(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine (PubChem CID 131081672) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine.

Molecular Properties

Compound Name(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine
PubChem CID131081672
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine
SMILESCCc1ccc(N)c2c1OCC[C@H]2N
InChIInChI=1S/C11H16N2O/c1-2-7-3-4-8(12)10-9(13)5-6-14-11(7)10/h3-4,9H,2,5-6,12-13H2,1H3/t9-/m1/s1
InChIKeyFHASXXOLYKCBCK-SECBINFHSA-N
XLogP1.61
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine?
The IUPAC name of (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine (CID 131081672) is (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine.
What is the SMILES notation for (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine?
The canonical SMILES for (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine is CCc1ccc(N)c2c1OCC[C@H]2N.
What is the InChIKey of (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine?
The InChIKey is FHASXXOLYKCBCK-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-7-3-4-8(12)10-9(13)5-6-14-11(7)10/h3-4,9H,2,5-6,12-13H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine?
(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine is sourced from PubChem (CID 131081672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).