3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine

C10H14N2O2 — CID 130039862

IUPAC3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine
SMILESCOC1COc2cc(N)ccc2C1N
InChIInChI=1S/C10H14N2O2/c1-13-9-5-14-8-4-6(11)2-3-7(8)10(9)12/h2-4,9-10H,5,11-12H2,1H3
InChIKeySIKQVWHBUBNZHU-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.68
Rot. Bonds1

About 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine

3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine (PubChem CID 130039862) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine.

Molecular Properties

Compound Name3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine
PubChem CID130039862
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine
SMILESCOC1COc2cc(N)ccc2C1N
InChIInChI=1S/C10H14N2O2/c1-13-9-5-14-8-4-6(11)2-3-7(8)10(9)12/h2-4,9-10H,5,11-12H2,1H3
InChIKeySIKQVWHBUBNZHU-UHFFFAOYSA-N
XLogP0.68
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130039876
2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 68668209
3-methoxy-3,4-dihydro-2H-chromen-6-amine
CID 105438039
3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine
CID 104560707
(3R)-7-amino-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 129451298
4-(3-ethyl-2,3-dihydro-1-benzofuran-6-yl)aniline
CID 145343090
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
(3S)-7-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 141423132
3-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
CID 115098724
8-amino-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-ol
CID 59020663
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine?
The IUPAC name of 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine (CID 130039862) is 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine.
What is the SMILES notation for 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine?
The canonical SMILES for 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine is COC1COc2cc(N)ccc2C1N.
What is the InChIKey of 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine?
The InChIKey is SIKQVWHBUBNZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-13-9-5-14-8-4-6(11)2-3-7(8)10(9)12/h2-4,9-10H,5,11-12H2,1H3.
What are the key properties of 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine?
3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine has a molecular weight of 194.23 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine is sourced from PubChem (CID 130039862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).