7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine

C16H25NO3 — CID 82462395

IUPAC7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCOc1ccc2c(c1OCC)OC(C)(CC)CC2N
InChIInChI=1S/C16H25NO3/c1-5-16(4)10-12(17)11-8-9-13(18-6-2)15(19-7-3)14(11)20-16/h8-9,12H,5-7,10,17H2,1-4H3
InChIKeyKXYGSBROZYYOAK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.43
Rot. Bonds5

About 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine

7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 82462395) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID82462395
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCOc1ccc2c(c1OCC)OC(C)(CC)CC2N
InChIInChI=1S/C16H25NO3/c1-5-16(4)10-12(17)11-8-9-13(18-6-2)15(19-7-3)14(11)20-16/h8-9,12H,5-7,10,17H2,1-4H3
InChIKeyKXYGSBROZYYOAK-UHFFFAOYSA-N
XLogP3.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 82462392
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537163
2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709554
(4R)-2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
CID 59323480
2,2-diethyl-8-(trifluoromethyl)-3,4-dihydrochromen-4-amine
CID 68596556
3,4-diethoxy-2-fluoroaniline
CID 13454492
(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68595565
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307
2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
CID 114708695
(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
CID 130778486
(4R)-7,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 68595471

Frequently Asked Questions

What is the IUPAC name of 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine (CID 82462395) is 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine is CCOc1ccc2c(c1OCC)OC(C)(CC)CC2N.
What is the InChIKey of 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is KXYGSBROZYYOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-16(4)10-12(17)11-8-9-13(18-6-2)15(19-7-3)14(11)20-16/h8-9,12H,5-7,10,17H2,1-4H3.
What are the key properties of 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 279.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diethoxy-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).