[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol

C17H27NO3 — CID 79646008

IUPAC[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(OCCOc2ccccc2)C1
InChIInChI=1S/C17H27NO3/c1-2-10-18-17(14-19)9-8-16(13-17)21-12-11-20-15-6-4-3-5-7-15/h3-7,16,18-19H,2,8-14H2,1H3
InChIKeyXQJLXGJCHHMEPW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.37
Rot. Bonds9

About [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol

[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol (PubChem CID 79646008) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
PubChem CID79646008
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(OCCOc2ccccc2)C1
InChIInChI=1S/C17H27NO3/c1-2-10-18-17(14-19)9-8-16(13-17)21-12-11-20-15-6-4-3-5-7-15/h3-7,16,18-19H,2,8-14H2,1H3
InChIKeyXQJLXGJCHHMEPW-UHFFFAOYSA-N
XLogP2.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646271
[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
CID 79645486
[1-(ethylamino)-3-propoxycyclopentyl]methanol
CID 79644520
[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
CID 107171546
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[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
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62526048
[3-(2,5-dimethylphenoxy)-1-(propylamino)cyclohexyl]methanol
CID 79638648
[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol (CID 79646008) is [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(OCCOc2ccccc2)C1.
What is the InChIKey of [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is XQJLXGJCHHMEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-10-18-17(14-19)9-8-16(13-17)21-12-11-20-15-6-4-3-5-7-15/h3-7,16,18-19H,2,8-14H2,1H3.
What are the key properties of [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol?
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79646008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).