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

C17H27NO2 — CID 64742281

IUPAC2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-12-4-7-15(10-13(12)2)18-11-17(19)14-5-8-16(20-3)9-6-14/h5-6,8-9,12-13,15,17-19H,4,7,10-11H2,1-3H3
InChIKeyUJCCTCFJEAEHBG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.14
Rot. Bonds5

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

2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 64742281) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID64742281
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-12-4-7-15(10-13(12)2)18-11-17(19)14-5-8-16(20-3)9-6-14/h5-6,8-9,12-13,15,17-19H,4,7,10-11H2,1-3H3
InChIKeyUJCCTCFJEAEHBG-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604
(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
CID 96732492
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol (CID 64742281) is 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNC2CCC(C)C(C)C2)cc1.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is UJCCTCFJEAEHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-4-7-15(10-13(12)2)18-11-17(19)14-5-8-16(20-3)9-6-14/h5-6,8-9,12-13,15,17-19H,4,7,10-11H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol?
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 64742281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).