2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol

C13H19NO — CID 129363150

IUPAC2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
SMILESCN(CCO)C[C@H]1CCc2ccccc21
InChIInChI=1S/C13H19NO/c1-14(8-9-15)10-12-7-6-11-4-2-3-5-13(11)12/h2-5,12,15H,6-10H2,1H3/t12-/m1/s1
InChIKeyUKSFDIMPKXTAIS-GFCCVEGCSA-N
MW205.30 g/mol
LogP1.64
Rot. Bonds4

About 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol (PubChem CID 129363150) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
PubChem CID129363150
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
SMILESCN(CCO)C[C@H]1CCc2ccccc21
InChIInChI=1S/C13H19NO/c1-14(8-9-15)10-12-7-6-11-4-2-3-5-13(11)12/h2-5,12,15H,6-10H2,1H3/t12-/m1/s1
InChIKeyUKSFDIMPKXTAIS-GFCCVEGCSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 14822623
1-ethyl-2,3-dihydro-1H-indene
CID 20971
N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 63772976
N-methyl-2-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 66273419
3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide
CID 63771080
N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
CID 63772595
N'-methyl-N'-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethane-1,2-diamine
CID 23791959
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637491
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135105196

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol (CID 129363150) is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol is CN(CCO)C[C@H]1CCc2ccccc21.
What is the InChIKey of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol?
The InChIKey is UKSFDIMPKXTAIS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO/c1-14(8-9-15)10-12-7-6-11-4-2-3-5-13(11)12/h2-5,12,15H,6-10H2,1H3/t12-/m1/s1.
What are the key properties of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol?
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol has a molecular weight of 205.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 129363150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).