2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine

C15H21NO — CID 107136473

IUPAC2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
SMILESNC(C1CCCOC1)C1Cc2ccccc2C1
InChIInChI=1S/C15H21NO/c16-15(13-6-3-7-17-10-13)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-15H,3,6-10,16H2
InChIKeyYDCILQKDNABOFT-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.16
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine

2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine (PubChem CID 107136473) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
PubChem CID107136473
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
SMILESNC(C1CCCOC1)C1Cc2ccccc2C1
InChIInChI=1S/C15H21NO/c16-15(13-6-3-7-17-10-13)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-15H,3,6-10,16H2
InChIKeyYDCILQKDNABOFT-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-2-yl(oxolan-3-yl)methanamine
CID 65411493
bis(oxan-3-yl)methanamine
CID 107136437
2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine
CID 63741473
1-(oxan-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65331743
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 107136482
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
oxolan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65412556
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
isoquinolin-4-yl(oxan-3-yl)methanamine
CID 65331748
isoquinolin-1-yl(oxan-3-yl)methanamine
CID 107136367
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine (CID 107136473) is 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine is NC(C1CCCOC1)C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine?
The InChIKey is YDCILQKDNABOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(13-6-3-7-17-10-13)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-15H,3,6-10,16H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine?
2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine is sourced from PubChem (CID 107136473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).