[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol

C13H19NO — CID 115229439

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
SMILESCN(CO)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19NO/c1-14(10-15)8-7-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyRYMQHUBBRWUFOQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.60
Rot. Bonds4

About [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol

[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol (PubChem CID 115229439) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
PubChem CID115229439
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
SMILESCN(CO)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19NO/c1-14(10-15)8-7-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyRYMQHUBBRWUFOQ-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
CID 115226180
N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115263460
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
CID 117042005
methyl 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]-2-oxoacetate
CID 115142607
3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
CID 115154399
[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
CID 115229428
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-1-ol
CID 115217645
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181731

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol (CID 115229439) is [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol is CN(CO)CCc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol?
The InChIKey is RYMQHUBBRWUFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14(10-15)8-7-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,15H,2-4,7-8,10H2,1H3.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol?
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol has a molecular weight of 205.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol is sourced from PubChem (CID 115229439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).