2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C12H17NO2 — CID 114709859

IUPAC2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCC1CC(N)c2cc(OC)ccc2O1
InChIInChI=1S/C12H17NO2/c1-3-8-7-11(13)10-6-9(14-2)4-5-12(10)15-8/h4-6,8,11H,3,7,13H2,1-2H3
InChIKeyZDSLAPLPQVWBBC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.26
Rot. Bonds2

About 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709859) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709859
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCC1CC(N)c2cc(OC)ccc2O1
InChIInChI=1S/C12H17NO2/c1-3-8-7-11(13)10-6-9(14-2)4-5-12(10)15-8/h4-6,8,11H,3,7,13H2,1-2H3
InChIKeyZDSLAPLPQVWBBC-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
(4R)-2-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947122
(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 104945006
6-methoxy-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709829
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 114709859) is 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is CCC1CC(N)c2cc(OC)ccc2O1.
What is the InChIKey of 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZDSLAPLPQVWBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-8-7-11(13)10-6-9(14-2)4-5-12(10)15-8/h4-6,8,11H,3,7,13H2,1-2H3.
What are the key properties of 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 207.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).