6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine

C13H19NO3 — CID 43756306

IUPAC6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCNC1CCOc2ccc(OC)cc21
InChIInChI=1S/C13H19NO3/c1-15-8-6-14-12-5-7-17-13-4-3-10(16-2)9-11(12)13/h3-4,9,12,14H,5-8H2,1-2H3
InChIKeyDKXCOLFBDDNEOU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.75
Rot. Bonds5

About 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine

6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43756306) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43756306
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCNC1CCOc2ccc(OC)cc21
InChIInChI=1S/C13H19NO3/c1-15-8-6-14-12-5-7-17-13-4-3-10(16-2)9-11(12)13/h3-4,9,12,14H,5-8H2,1-2H3
InChIKeyDKXCOLFBDDNEOU-UHFFFAOYSA-N
XLogP1.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
6-methoxy-N-(3-methylsulfinylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115721100
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103904001
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
6-methoxy-N-(2-prop-2-enylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 103901426
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788
6-methoxy-N-(thian-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115720011
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine (CID 43756306) is 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine is COCCNC1CCOc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DKXCOLFBDDNEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-8-6-14-12-5-7-17-13-4-3-10(16-2)9-11(12)13/h3-4,9,12,14H,5-8H2,1-2H3.
What are the key properties of 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43756306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).