2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol

C17H27NO2 — CID 110922419

IUPAC2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)CNC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)20-16-10-6-7-14(11-16)17(19)12-18-15-8-4-3-5-9-15/h6-7,10-11,13,15,17-19H,3-5,8-9,12H2,1-2H3
InChIKeyLLDALJVKTUQDLJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.43
Rot. Bonds6

About 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol

2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 110922419) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID110922419
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)CNC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)20-16-10-6-7-14(11-16)17(19)12-18-15-8-4-3-5-9-15/h6-7,10-11,13,15,17-19H,3-5,8-9,12H2,1-2H3
InChIKeyLLDALJVKTUQDLJ-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
CID 70463295
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 111423733
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 119792549
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
4-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol (CID 110922419) is 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(C(O)CNC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is LLDALJVKTUQDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)20-16-10-6-7-14(11-16)17(19)12-18-15-8-4-3-5-9-15/h6-7,10-11,13,15,17-19H,3-5,8-9,12H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol?
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 110922419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).