2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol

C17H27NO2 — CID 81422251

IUPAC2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCCC(C)(C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2)10-4-5-14(11-17)18-12-16(19)13-6-8-15(20-3)9-7-13/h6-9,14,16,18-19H,4-5,10-12H2,1-3H3
InChIKeyZORUIVGMNUKVFX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds5

About 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol

2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 81422251) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID81422251
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCCC(C)(C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2)10-4-5-14(11-17)18-12-16(19)13-6-8-15(20-3)9-7-13/h6-9,14,16,18-19H,4-5,10-12H2,1-3H3
InChIKeyZORUIVGMNUKVFX-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-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97321724
(3S)-3-(4-bromophenyl)-4-[(3,3-dimethylcyclohexyl)amino]butan-2-one
CID 66767484
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876320
3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 81422253

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (CID 81422251) is 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNC2CCCC(C)(C)C2)cc1.
What is the InChIKey of 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is ZORUIVGMNUKVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2)10-4-5-14(11-17)18-12-16(19)13-6-8-15(20-3)9-7-13/h6-9,14,16,18-19H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
2-[(3,3-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-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 81422251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).