1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol

C19H31NO — CID 82217010

IUPAC1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol
SMILESCCC(C)c1ccc(C(O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-15(2)16-10-12-17(13-11-16)19(21)14-20(3)18-8-6-5-7-9-18/h10-13,15,18-19,21H,4-9,14H2,1-3H3
InChIKeyAOCZYILGQFHMFD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.50
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol

1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol (PubChem CID 82217010) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol
PubChem CID82217010
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol
SMILESCCC(C)c1ccc(C(O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-15(2)16-10-12-17(13-11-16)19(21)14-20(3)18-8-6-5-7-9-18/h10-13,15,18-19,21H,4-9,14H2,1-3H3
InChIKeyAOCZYILGQFHMFD-UHFFFAOYSA-N
XLogP4.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(methyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79040937
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
1-[4-[cyclopentyl(methyl)amino]phenyl]propan-1-ol
CID 114066765
2-[cyclohexyl(methyl)amino]-1-(4-fluoro-3-nitrophenyl)ethanol
CID 82216795
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706
(1S)-1-[4-[cycloheptyl(methyl)amino]phenyl]ethanol
CID 63371082
[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol (CID 82217010) is 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol is CCC(C)c1ccc(C(O)CN(C)C2CCCCC2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol?
The InChIKey is AOCZYILGQFHMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-15(2)16-10-12-17(13-11-16)19(21)14-20(3)18-8-6-5-7-9-18/h10-13,15,18-19,21H,4-9,14H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol?
1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol has a molecular weight of 289.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol is sourced from PubChem (CID 82217010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).