N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine

C17H25NO2 — CID 62384262

IUPACN-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1OCC1CCOCC1
InChIInChI=1S/C17H25NO2/c1-2-18-17-15-6-4-3-5-14(15)11-16(17)20-12-13-7-9-19-10-8-13/h3-6,13,16-18H,2,7-12H2,1H3
InChIKeyUMFXRYGEDPGMQH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine

N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 62384262) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID62384262
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1OCC1CCOCC1
InChIInChI=1S/C17H25NO2/c1-2-18-17-15-6-4-3-5-14(15)11-16(17)20-12-13-7-9-19-10-8-13/h3-6,13,16-18H,2,7-12H2,1H3
InChIKeyUMFXRYGEDPGMQH-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine (CID 62384262) is N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine is CCNC1c2ccccc2CC1OCC1CCOCC1.
What is the InChIKey of N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UMFXRYGEDPGMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-18-17-15-6-4-3-5-14(15)11-16(17)20-12-13-7-9-19-10-8-13/h3-6,13,16-18H,2,7-12H2,1H3.
What are the key properties of N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine?
N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-4-ylmethoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 62384262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).