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

C18H29NO2 — CID 79647774

IUPAC[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCC(Oc2ccccc2C(C)CC)C1
InChIInChI=1S/C18H29NO2/c1-4-14(3)16-8-6-7-9-17(16)21-15-10-11-18(12-15,13-20)19-5-2/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3
InChIKeyAQZLDCDSUHZMNU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.47
Rot. Bonds7

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

[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79647774) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
PubChem CID79647774
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCC(Oc2ccccc2C(C)CC)C1
InChIInChI=1S/C18H29NO2/c1-4-14(3)16-8-6-7-9-17(16)21-15-10-11-18(12-15,13-20)19-5-2/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3
InChIKeyAQZLDCDSUHZMNU-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol
CID 79641071
methyl 1-amino-3-(2-butan-2-ylphenoxy)cyclopentane-1-carboxylate
CID 79647954
[1-(ethylamino)-3-(3-methylphenoxy)cyclopentyl]methanol
CID 79645788
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
CID 107714218
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645524
5-(2-butan-2-ylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79865771
3-(2-butan-2-ylphenoxy)cyclobutan-1-one
CID 66368034
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 114341296
[1-(ethylamino)-3-propoxycyclopentyl]methanol
CID 79644520

Frequently Asked Questions

What is the IUPAC name of [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol (CID 79647774) is [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCC(Oc2ccccc2C(C)CC)C1.
What is the InChIKey of [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is AQZLDCDSUHZMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14(3)16-8-6-7-9-17(16)21-15-10-11-18(12-15,13-20)19-5-2/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3.
What are the key properties of [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol?
[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79647774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).