N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine

C16H23NO — CID 65403978

IUPACN-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCOC1)C1CCc2ccccc21
InChIInChI=1S/C16H23NO/c1-2-17-16(13-9-10-18-11-13)15-8-7-12-5-3-4-6-14(12)15/h3-6,13,15-17H,2,7-11H2,1H3
InChIKeyLOPMCNFZYUBMPP-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.73
Rot. Bonds4

About N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine

N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine (PubChem CID 65403978) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine
PubChem CID65403978
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCOC1)C1CCc2ccccc21
InChIInChI=1S/C16H23NO/c1-2-17-16(13-9-10-18-11-13)15-8-7-12-5-3-4-6-14(12)15/h3-6,13,15-17H,2,7-11H2,1H3
InChIKeyLOPMCNFZYUBMPP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,3-dihydro-1H-inden-1-yl(oxan-4-yl)methyl]hydrazine
CID 105234384
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104745923
oxolan-3-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63562647
N-ethyl-1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65332252
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 64984307
N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
CID 105080766
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471
N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 114603367
N-ethyl-1-(oxolan-3-yl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanamine
CID 104746584
N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65405344
N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65404174

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine (CID 65403978) is N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine is CCNC(C1CCOC1)C1CCc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine?
The InChIKey is LOPMCNFZYUBMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-17-16(13-9-10-18-11-13)15-8-7-12-5-3-4-6-14(12)15/h3-6,13,15-17H,2,7-11H2,1H3.
What are the key properties of N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine?
N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65403978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).