[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol

C17H27NO2 — CID 79645784

IUPAC[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
SMILESCCNC1(CO)CCC(Oc2cccc(C(C)C)c2)C1
InChIInChI=1S/C17H27NO2/c1-4-18-17(12-19)9-8-16(11-17)20-15-7-5-6-14(10-15)13(2)3/h5-7,10,13,16,18-19H,4,8-9,11-12H2,1-3H3
InChIKeyROSWZYYMZLHSJA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.08
Rot. Bonds6

About [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol

[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol (PubChem CID 79645784) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
PubChem CID79645784
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol
SMILESCCNC1(CO)CCC(Oc2cccc(C(C)C)c2)C1
InChIInChI=1S/C17H27NO2/c1-4-18-17(12-19)9-8-16(11-17)20-15-7-5-6-14(10-15)13(2)3/h5-7,10,13,16,18-19H,4,8-9,11-12H2,1-3H3
InChIKeyROSWZYYMZLHSJA-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxyphenyl]methanol
CID 79646018
[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
CID 79647774
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645524
[1-(methylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645520
[1-(methylamino)-3-naphthalen-2-yloxycyclopentyl]methanol
CID 79646293
[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
CID 79645486
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
[1-(cyclopropylamino)-3-phenoxycyclopentyl]methanol
CID 79645287
[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
CID 107171546
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol?
The IUPAC name of [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol (CID 79645784) is [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol is CCNC1(CO)CCC(Oc2cccc(C(C)C)c2)C1.
What is the InChIKey of [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol?
The InChIKey is ROSWZYYMZLHSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-17(12-19)9-8-16(11-17)20-15-7-5-6-14(10-15)13(2)3/h5-7,10,13,16,18-19H,4,8-9,11-12H2,1-3H3.
What are the key properties of [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol?
[1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-(3-propan-2-ylphenoxy)cyclopentyl]methanol is sourced from PubChem (CID 79645784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).