2-(oxan-2-yloxymethyl)-2H-chromen-8-amine

C15H19NO3 — CID 142656378

IUPAC2-(oxan-2-yloxymethyl)-2H-chromen-8-amine
SMILESNc1cccc2c1OC(COC1CCCCO1)C=C2
InChIInChI=1S/C15H19NO3/c16-13-5-3-4-11-7-8-12(19-15(11)13)10-18-14-6-1-2-9-17-14/h3-5,7-8,12,14H,1-2,6,9-10,16H2
InChIKeyZYMQUXFKYMWHMQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.59
Rot. Bonds3

About 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine

2-(oxan-2-yloxymethyl)-2H-chromen-8-amine (PubChem CID 142656378) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine.

Molecular Properties

Compound Name2-(oxan-2-yloxymethyl)-2H-chromen-8-amine
PubChem CID142656378
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(oxan-2-yloxymethyl)-2H-chromen-8-amine
SMILESNc1cccc2c1OC(COC1CCCCO1)C=C2
InChIInChI=1S/C15H19NO3/c16-13-5-3-4-11-7-8-12(19-15(11)13)10-18-14-6-1-2-9-17-14/h3-5,7-8,12,14H,1-2,6,9-10,16H2
InChIKeyZYMQUXFKYMWHMQ-UHFFFAOYSA-N
XLogP2.59
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-2-yloxymethyl)-2H-furan-5-one
CID 14432035
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 59035820
2-[5-(furan-2-yl)pentoxy]oxane
CID 102163402
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]oxane
CID 122547467
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2,2-dimethyl-6-(1H-phenalen-1-yl)hexoxy]oxane
CID 175367647

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine?
The IUPAC name of 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine (CID 142656378) is 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine.
What is the SMILES notation for 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine?
The canonical SMILES for 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine is Nc1cccc2c1OC(COC1CCCCO1)C=C2.
What is the InChIKey of 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine?
The InChIKey is ZYMQUXFKYMWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c16-13-5-3-4-11-7-8-12(19-15(11)13)10-18-14-6-1-2-9-17-14/h3-5,7-8,12,14H,1-2,6,9-10,16H2.
What are the key properties of 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine?
2-(oxan-2-yloxymethyl)-2H-chromen-8-amine has a molecular weight of 261.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxymethyl)-2H-chromen-8-amine is sourced from PubChem (CID 142656378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).