3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine

C11H15NO2 — CID 105447073

IUPAC3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine
SMILESCOCC1COc2c(N)cccc2C1
InChIInChI=1S/C11H15NO2/c1-13-6-8-5-9-3-2-4-10(12)11(9)14-7-8/h2-4,8H,5-7,12H2,1H3
InChIKeyJHOVGTNDNWLGQY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.47
Rot. Bonds2

About 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine

3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine (PubChem CID 105447073) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine
PubChem CID105447073
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine
SMILESCOCC1COc2c(N)cccc2C1
InChIInChI=1S/C11H15NO2/c1-13-6-8-5-9-3-2-4-10(12)11(9)14-7-8/h2-4,8H,5-7,12H2,1H3
InChIKeyJHOVGTNDNWLGQY-UHFFFAOYSA-N
XLogP1.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N-dimethyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 105446305
(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 129384642
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine
CID 105491696
(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 82398520
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 96753063
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
CID 72899135
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine?
The IUPAC name of 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine (CID 105447073) is 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine.
What is the SMILES notation for 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine?
The canonical SMILES for 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine is COCC1COc2c(N)cccc2C1.
What is the InChIKey of 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine?
The InChIKey is JHOVGTNDNWLGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-6-8-5-9-3-2-4-10(12)11(9)14-7-8/h2-4,8H,5-7,12H2,1H3.
What are the key properties of 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine?
3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine has a molecular weight of 193.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine is sourced from PubChem (CID 105447073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).