[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol

C15H23NO2 — CID 79645524

IUPAC[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H23NO2/c1-12(2)16-15(11-17)9-8-14(10-15)18-13-6-4-3-5-7-13/h3-7,12,14,16-17H,8-11H2,1-2H3
InChIKeyHKACQTFHXDIQOS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.35
Rot. Bonds5

About [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol

[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79645524) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79645524
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(Oc2ccccc2)C1
InChIInChI=1S/C15H23NO2/c1-12(2)16-15(11-17)9-8-14(10-15)18-13-6-4-3-5-7-13/h3-7,12,14,16-17H,8-11H2,1-2H3
InChIKeyHKACQTFHXDIQOS-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
CID 107710114
2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
CID 107714218
[1-(cyclopropylamino)-3-phenoxycyclopentyl]methanol
CID 79645287
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
CID 79645784
[1-(methylamino)-3-naphthalen-2-yloxycyclopentyl]methanol
CID 79646293
[1-(methylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645520
[3-(4-tert-butylphenoxy)-1-(methylamino)cyclopentyl]methanol
CID 79648009
[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
CID 79646018
[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788
3-[4-(hydroxymethyl)phenoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79646691

Frequently Asked Questions

What is the IUPAC name of [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79645524) is [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol is CC(C)NC1(CO)CCC(Oc2ccccc2)C1.
What is the InChIKey of [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is HKACQTFHXDIQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)16-15(11-17)9-8-14(10-15)18-13-6-4-3-5-7-13/h3-7,12,14,16-17H,8-11H2,1-2H3.
What are the key properties of [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79645524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).