(3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine

C13H19NO2 — CID 155526977

IUPAC(3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine
SMILESCC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N
InChIInChI=1S/C13H19NO2/c1-4-11-10-7-9(15-3)5-6-12(10)16-8-13(11,2)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1
InChIKeyQTKHCKFFZZANPG-WCQYABFASA-N
MW221.30 g/mol
LogP2.30
Rot. Bonds2

About (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine

(3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine (PubChem CID 155526977) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine
PubChem CID155526977
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine
SMILESCC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N
InChIInChI=1S/C13H19NO2/c1-4-11-10-7-9(15-3)5-6-12(10)16-8-13(11,2)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1
InChIKeyQTKHCKFFZZANPG-WCQYABFASA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine?
The IUPAC name of (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine (CID 155526977) is (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine.
What is the SMILES notation for (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine?
The canonical SMILES for (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine is CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N.
What is the InChIKey of (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine?
The InChIKey is QTKHCKFFZZANPG-WCQYABFASA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11-10-7-9(15-3)5-6-12(10)16-8-13(11,2)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine?
(3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethyl-6-methoxy-3-methyl-2,4-dihydrochromen-3-amine is sourced from PubChem (CID 155526977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).