2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

C19H29NO — CID 82312858

IUPAC2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCC1CCCCC1NCC(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29NO/c1-14-6-2-5-9-18(14)20-13-19(21)17-11-10-15-7-3-4-8-16(15)12-17/h10-12,14,18-21H,2-9,13H2,1H3
InChIKeyGVLXEGQVRBJBPZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.77
Rot. Bonds4

About 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 82312858) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
PubChem CID82312858
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCC1CCCCC1NCC(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H29NO/c1-14-6-2-5-9-18(14)20-13-19(21)17-11-10-15-7-3-4-8-16(15)12-17/h10-12,14,18-21H,2-9,13H2,1H3
InChIKeyGVLXEGQVRBJBPZ-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol
CID 82314783
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol
CID 82314895
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
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
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216675
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43101467
N-methyl-1-(2-methylcyclopentyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177156

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (CID 82312858) is 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is CC1CCCCC1NCC(O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is GVLXEGQVRBJBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-6-2-5-9-18(14)20-13-19(21)17-11-10-15-7-3-4-8-16(15)12-17/h10-12,14,18-21H,2-9,13H2,1H3.
What are the key properties of 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 287.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 82312858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).