[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol

C17H27NO3 — CID 79638491

IUPAC[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
SMILESCCCNC1(CO)CCCC(Oc2ccccc2CO)C1
InChIInChI=1S/C17H27NO3/c1-2-10-18-17(13-20)9-5-7-15(11-17)21-16-8-4-3-6-14(16)12-19/h3-4,6,8,15,18-20H,2,5,7,9-13H2,1H3
InChIKeyISZHYAIIGJNFIM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.23
Rot. Bonds7

About [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol

[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol (PubChem CID 79638491) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol.

Molecular Properties

Compound Name[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
PubChem CID79638491
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
SMILESCCCNC1(CO)CCCC(Oc2ccccc2CO)C1
InChIInChI=1S/C17H27NO3/c1-2-10-18-17(13-20)9-5-7-15(11-17)21-16-8-4-3-6-14(16)12-19/h3-4,6,8,15,18-20H,2,5,7,9-13H2,1H3
InChIKeyISZHYAIIGJNFIM-UHFFFAOYSA-N
XLogP2.23
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,4-difluorophenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638624
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638648
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640904
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
CID 79645486
2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
CID 107714218
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646008
[3-(2,3-dihydro-1H-inden-5-yloxy)-1-(propylamino)cyclopentyl]methanol
CID 79646252
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
CID 79647774

Frequently Asked Questions

What is the IUPAC name of [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol?
The IUPAC name of [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol (CID 79638491) is [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol.
What is the SMILES notation for [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol?
The canonical SMILES for [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol is CCCNC1(CO)CCCC(Oc2ccccc2CO)C1.
What is the InChIKey of [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol?
The InChIKey is ISZHYAIIGJNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-10-18-17(13-20)9-5-7-15(11-17)21-16-8-4-3-6-14(16)12-19/h3-4,6,8,15,18-20H,2,5,7,9-13H2,1H3.
What are the key properties of [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol?
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol is sourced from PubChem (CID 79638491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).