4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine

C12H17NO2 — CID 82194434

IUPAC4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine
SMILESCCC1(N)CCOc2c(OC)cccc21
InChIInChI=1S/C12H17NO2/c1-3-12(13)7-8-15-11-9(12)5-4-6-10(11)14-2/h4-6H,3,7-8,13H2,1-2H3
InChIKeyTYSQVBITWJKXLJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.04
Rot. Bonds2

About 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine

4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine (PubChem CID 82194434) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine
PubChem CID82194434
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine
SMILESCCC1(N)CCOc2c(OC)cccc21
InChIInChI=1S/C12H17NO2/c1-3-12(13)7-8-15-11-9(12)5-4-6-10(11)14-2/h4-6H,3,7-8,13H2,1-2H3
InChIKeyTYSQVBITWJKXLJ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419418
diethyl 2-[(1'R,4S)-8-methoxy-5'-oxospiro[2,3-dihydrochromene-4,2'-cyclohex-3-ene]-1'-yl]propanedioate
CID 132573459
6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine
CID 82194427
1-O'-tert-butyl 3-O'-ethyl (3'S,4R)-8-methoxyspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-1',3'-dicarboxylate
CID 58549551
9-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82247678
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine (CID 82194434) is 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine is CCC1(N)CCOc2c(OC)cccc21.
What is the InChIKey of 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine?
The InChIKey is TYSQVBITWJKXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-12(13)7-8-15-11-9(12)5-4-6-10(11)14-2/h4-6H,3,7-8,13H2,1-2H3.
What are the key properties of 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine?
4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine has a molecular weight of 207.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 82194434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).