3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine

C15H21NO3 — CID 62382431

IUPAC3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1OCC1CCOCC1
InChIInChI=1S/C15H21NO3/c16-15-12-3-1-2-4-13(12)19-10-14(15)18-9-11-5-7-17-8-6-11/h1-4,11,14-15H,5-10,16H2
InChIKeyJJHARAMQMXPQLW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.89
Rot. Bonds3

About 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine

3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 62382431) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
PubChem CID62382431
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1OCC1CCOCC1
InChIInChI=1S/C15H21NO3/c16-15-12-3-1-2-4-13(12)19-10-14(15)18-9-11-5-7-17-8-6-11/h1-4,11,14-15H,5-10,16H2
InChIKeyJJHARAMQMXPQLW-UHFFFAOYSA-N
XLogP1.89
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 167482694
3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine
CID 104560707
3-[[(3S,4R)-4-amino-3,4-dihydro-2H-chromen-3-yl]oxy]-2,2-dimethylpropanenitrile
CID 172508662
N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
CID 62384262
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclohexan-1-amine
CID 79230039
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine
CID 62550128
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclopentan-1-amine
CID 79465588
N-[3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482729
7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247755
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine (CID 62382431) is 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine is NC1c2ccccc2OCC1OCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JJHARAMQMXPQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-15-12-3-1-2-4-13(12)19-10-14(15)18-9-11-5-7-17-8-6-11/h1-4,11,14-15H,5-10,16H2.
What are the key properties of 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine?
3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 62382431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).