2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol

C17H27NO2 — CID 79871773

IUPAC2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCCCC2(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-17(2)11-5-4-6-16(17)18-12-15(19)13-7-9-14(20-3)10-8-13/h7-10,15-16,18-19H,4-6,11-12H2,1-3H3
InChIKeyIUYXGJPNFHGITB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds5

About 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol

2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 79871773) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID79871773
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCCCC2(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-17(2)11-5-4-6-16(17)18-12-15(19)13-7-9-14(20-3)10-8-13/h7-10,15-16,18-19H,4-6,11-12H2,1-3H3
InChIKeyIUYXGJPNFHGITB-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79856738
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
CID 79870628
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79860860
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (CID 79871773) is 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNC2CCCCC2(C)C)cc1.
What is the InChIKey of 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is IUYXGJPNFHGITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2)11-5-4-6-16(17)18-12-15(19)13-7-9-14(20-3)10-8-13/h7-10,15-16,18-19H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 79871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).