N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H21NO2 — CID 113443436

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOC1(CNC2CCc3ccccc32)CCOC1
InChIInChI=1S/C15H21NO2/c1-17-15(8-9-18-11-15)10-16-14-7-6-12-4-2-3-5-13(12)14/h2-5,14,16H,6-11H2,1H3
InChIKeySTTBPCFPQMZZGI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.07
Rot. Bonds4

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

N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 113443436) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID113443436
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOC1(CNC2CCc3ccccc32)CCOC1
InChIInChI=1S/C15H21NO2/c1-17-15(8-9-18-11-15)10-16-14-7-6-12-4-2-3-5-13(12)14/h2-5,14,16H,6-11H2,1H3
InChIKeySTTBPCFPQMZZGI-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 104705814
N-[(3-methoxyoxolan-3-yl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 104705882
4-[(3-methoxyoxolan-3-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 104705970
5-[(3-methoxyoxolan-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 104705788
(1R)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 97104066
(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 99837880
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
CID 81131273
1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol
CID 54937894
1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine
CID 104705115
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669
N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 80723040
3-(4-bromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutan-1-amine
CID 104759771

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 113443436) is N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is COC1(CNC2CCc3ccccc32)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is STTBPCFPQMZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-15(8-9-18-11-15)10-16-14-7-6-12-4-2-3-5-13(12)14/h2-5,14,16H,6-11H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113443436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).