8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine

C12H17NO2 — CID 43537163

IUPAC8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCOc1cccc2c1OC(C)CC2N
InChIInChI=1S/C12H17NO2/c1-3-14-11-6-4-5-9-10(13)7-8(2)15-12(9)11/h4-6,8,10H,3,7,13H2,1-2H3
InChIKeyPOZDTFQULPQGMC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.26
Rot. Bonds2

About 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine

8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537163) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537163
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCOc1cccc2c1OC(C)CC2N
InChIInChI=1S/C12H17NO2/c1-3-14-11-6-4-5-9-10(13)7-8(2)15-12(9)11/h4-6,8,10H,3,7,13H2,1-2H3
InChIKeyPOZDTFQULPQGMC-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

7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661217
2-methyl-N-propan-2-yl-8-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 43537264
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 59167729
2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 122360387
[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 99981796
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 96753063
(7-ethoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 126844412
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
(5R)-9-ethoxy-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889819
(5S)-9-ethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014330

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine (CID 43537163) is 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine is CCOc1cccc2c1OC(C)CC2N.
What is the InChIKey of 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is POZDTFQULPQGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-14-11-6-4-5-9-10(13)7-8(2)15-12(9)11/h4-6,8,10H,3,7,13H2,1-2H3.
What are the key properties of 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine?
8-ethoxy-2-methyl-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 8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).