1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol

C16H24N2O — CID 107685114

IUPAC1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN1CCCC1CN(C)C1CCc2cc(O)ccc21
InChIInChI=1S/C16H24N2O/c1-17-9-3-4-13(17)11-18(2)16-8-5-12-10-14(19)6-7-15(12)16/h6-7,10,13,16,19H,3-5,8-9,11H2,1-2H3
InChIKeyIRZJVHZBWOBRRZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.41
Rot. Bonds3

About 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol

1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107685114) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107685114
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESCN1CCCC1CN(C)C1CCc2cc(O)ccc21
InChIInChI=1S/C16H24N2O/c1-17-9-3-4-13(17)11-18(2)16-8-5-12-10-14(19)6-7-15(12)16/h6-7,10,13,16,19H,3-5,8-9,11H2,1-2H3
InChIKeyIRZJVHZBWOBRRZ-UHFFFAOYSA-N
XLogP2.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 59423288
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685102
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N,N-dimethylacetamide
CID 107684947
5-[methyl(oxan-4-ylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82980837
5-[methyl-(1-methylpiperidin-3-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82979899
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol
CID 107684985
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 107685011
1-[ethyl(2-ethylbutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107684994
(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129390892
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 107685007

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol (CID 107685114) is 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol is CN1CCCC1CN(C)C1CCc2cc(O)ccc21.
What is the InChIKey of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is IRZJVHZBWOBRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-9-3-4-13(17)11-18(2)16-8-5-12-10-14(19)6-7-15(12)16/h6-7,10,13,16,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol?
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 260.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107685114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).