2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol

C18H29NO — CID 82314895

IUPAC2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CNC2CCCCC2C)c(C)c1
InChIInChI=1S/C18H29NO/c1-12-9-14(3)18(15(4)10-12)17(20)11-19-16-8-6-5-7-13(16)2/h9-10,13,16-17,19-20H,5-8,11H2,1-4H3
InChIKeyKCXOWQFKRMOUCH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.81
Rot. Bonds4

About 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol

2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 82314895) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID82314895
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CNC2CCCCC2C)c(C)c1
InChIInChI=1S/C18H29NO/c1-12-9-14(3)18(15(4)10-12)17(20)11-19-16-8-6-5-7-13(16)2/h9-10,13,16-17,19-20H,5-8,11H2,1-4H3
InChIKeyKCXOWQFKRMOUCH-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.81
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-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278408
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol
CID 82314783
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
2-(cyclopentylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 82121821
3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073567
4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 115721189
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
N-[(1R,2R)-2-methylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9404813

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol (CID 82314895) is 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CNC2CCCCC2C)c(C)c1.
What is the InChIKey of 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is KCXOWQFKRMOUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-9-14(3)18(15(4)10-12)17(20)11-19-16-8-6-5-7-13(16)2/h9-10,13,16-17,19-20H,5-8,11H2,1-4H3.
What are the key properties of 2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol?
2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.81, 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-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 82314895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).