2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol

C20H33NO3 — CID 78871610

IUPAC2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)CNC2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H33NO3/c1-20(2,3)14-6-8-15(9-7-14)21-13-18(22)17-12-16(23-4)10-11-19(17)24-5/h10-12,14-15,18,21-22H,6-9,13H2,1-5H3
InChIKeySSSGEPRQLFVYBT-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.93
Rot. Bonds6

About 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol

2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 78871610) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID78871610
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)CNC2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H33NO3/c1-20(2,3)14-6-8-15(9-7-14)21-13-18(22)17-12-16(23-4)10-11-19(17)24-5/h10-12,14-15,18,21-22H,6-9,13H2,1-5H3
InChIKeySSSGEPRQLFVYBT-UHFFFAOYSA-N
XLogP3.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol with MolForge

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Related Compounds

2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310
1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol (CID 78871610) is 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(O)CNC2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is SSSGEPRQLFVYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-20(2,3)14-6-8-15(9-7-14)21-13-18(22)17-12-16(23-4)10-11-19(17)24-5/h10-12,14-15,18,21-22H,6-9,13H2,1-5H3.
What are the key properties of 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol?
2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 335.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 78871610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).