[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol

C15H21NO2 — CID 82837035

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol
SMILESNCC1(C(O)C2CCCO2)CCc2ccccc21
InChIInChI=1S/C15H21NO2/c16-10-15(14(17)13-6-3-9-18-13)8-7-11-4-1-2-5-12(11)15/h1-2,4-5,13-14,17H,3,6-10,16H2
InChIKeyINQMWCFFGMGFTF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.37
Rot. Bonds3

About [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol (PubChem CID 82837035) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol
PubChem CID82837035
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol
SMILESNCC1(C(O)C2CCCO2)CCc2ccccc21
InChIInChI=1S/C15H21NO2/c16-10-15(14(17)13-6-3-9-18-13)8-7-11-4-1-2-5-12(11)15/h1-2,4-5,13-14,17H,3,6-10,16H2
InChIKeyINQMWCFFGMGFTF-UHFFFAOYSA-N
XLogP1.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol
CID 79138453
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(oxolan-2-yl)methanol
CID 82836805
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol
CID 79134701
2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-hydroxyacetaldehyde
CID 79125434
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
CID 79137764
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol
CID 79124777
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
CID 79123653
[1-(aminomethyl)cyclopropyl]-(oxan-2-yl)methanol
CID 165448247
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
CID 116503441
(1-cyclopropyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 104819342
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol
CID 79427568
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
CID 79123645

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol (CID 82837035) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol is NCC1(C(O)C2CCCO2)CCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol?
The InChIKey is INQMWCFFGMGFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-10-15(14(17)13-6-3-9-18-13)8-7-11-4-1-2-5-12(11)15/h1-2,4-5,13-14,17H,3,6-10,16H2.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol has a molecular weight of 247.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol is sourced from PubChem (CID 82837035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).