1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol

C20H33NO2 — CID 4799215

IUPAC1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CNC1CCCCCCC1
InChIInChI=1S/C20H33NO2/c1-16(2)19-12-8-9-13-20(19)23-15-18(22)14-21-17-10-6-4-3-5-7-11-17/h8-9,12-13,16-18,21-22H,3-7,10-11,14-15H2,1-2H3
InChIKeyFUDGEJZLFQHFBC-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.25
Rot. Bonds7

About 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol

1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 4799215) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID4799215
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CNC1CCCCCCC1
InChIInChI=1S/C20H33NO2/c1-16(2)19-12-8-9-13-20(19)23-15-18(22)14-21-17-10-6-4-3-5-7-11-17/h8-9,12-13,16-18,21-22H,3-7,10-11,14-15H2,1-2H3
InChIKeyFUDGEJZLFQHFBC-UHFFFAOYSA-N
XLogP4.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
ethyl 4-[[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]piperidine-1-carboxylate
CID 7875002
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593407
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 1266890
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 4799215) is 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol is CC(C)c1ccccc1OCC(O)CNC1CCCCCCC1.
What is the InChIKey of 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is FUDGEJZLFQHFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-16(2)19-12-8-9-13-20(19)23-15-18(22)14-21-17-10-6-4-3-5-7-11-17/h8-9,12-13,16-18,21-22H,3-7,10-11,14-15H2,1-2H3.
What are the key properties of 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 319.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 4799215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).