1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol

C18H27NO — CID 82314783

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol
SMILESCC1CCCCC1NCC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H27NO/c1-13-5-2-3-8-17(13)19-12-18(20)16-10-9-14-6-4-7-15(14)11-16/h9-11,13,17-20H,2-8,12H2,1H3
InChIKeyMESQFIUCAWEVJN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.38
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol

1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol (PubChem CID 82314783) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol
PubChem CID82314783
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol
SMILESCC1CCCCC1NCC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H27NO/c1-13-5-2-3-8-17(13)19-12-18(20)16-10-9-14-6-4-7-15(14)11-16/h9-11,13,17-20H,2-8,12H2,1H3
InChIKeyMESQFIUCAWEVJN-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82312858
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216675
2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol
CID 82314895
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43101467
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82121740
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol;hydrochloride
CID 3029491
2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312862

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol (CID 82314783) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol is CC1CCCCC1NCC(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol?
The InChIKey is MESQFIUCAWEVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-5-2-3-8-17(13)19-12-18(20)16-10-9-14-6-4-7-15(14)11-16/h9-11,13,17-20H,2-8,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol?
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol has a molecular weight of 273.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol is sourced from PubChem (CID 82314783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).