[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine

C16H23NO — CID 65409445

IUPAC[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(CC2CCOCC2)CCc2ccccc21
InChIInChI=1S/C16H23NO/c17-12-16(11-13-6-9-18-10-7-13)8-5-14-3-1-2-4-15(14)16/h1-4,13H,5-12,17H2
InChIKeyYVOAJKKIEZEWQH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.65
Rot. Bonds3

About [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine

[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine (PubChem CID 65409445) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
PubChem CID65409445
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(CC2CCOCC2)CCc2ccccc21
InChIInChI=1S/C16H23NO/c17-12-16(11-13-6-9-18-10-7-13)8-5-14-3-1-2-4-15(14)16/h1-4,13H,5-12,17H2
InChIKeyYVOAJKKIEZEWQH-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The IUPAC name of [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine (CID 65409445) is [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine.
What is the SMILES notation for [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The canonical SMILES for [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine is NCC1(CC2CCOCC2)CCc2ccccc21.
What is the InChIKey of [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
The InChIKey is YVOAJKKIEZEWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-12-16(11-13-6-9-18-10-7-13)8-5-14-3-1-2-4-15(14)16/h1-4,13H,5-12,17H2.
What are the key properties of [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine?
[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine is sourced from PubChem (CID 65409445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).