1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol

C17H27NO — CID 3070070

IUPAC1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14/h9-12,14,17,19H,3-8,13H2,1-2H3
InChIKeyOTUPOONJCYPSTC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol

1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol (PubChem CID 3070070) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol.

Molecular Properties

Compound Name1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol
PubChem CID3070070
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14/h9-12,14,17,19H,3-8,13H2,1-2H3
InChIKeyOTUPOONJCYPSTC-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(Dimethylamino)-1-phenylpropan-1-ol
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(1S,2S)-(+)-N-Methylpseudoephedrine
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Etafedrine
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Methylephedrine, (+)-
CID 102023
5-[Bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol
CID 3724164
H 29-50
CID 192962
2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol?
The IUPAC name of 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol (CID 3070070) is 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol.
What is the SMILES notation for 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol?
The canonical SMILES for 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol is CCN(CC)CC(O)c1ccc(C2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol?
The InChIKey is OTUPOONJCYPSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14/h9-12,14,17,19H,3-8,13H2,1-2H3.
What are the key properties of 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol?
1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol is sourced from PubChem (CID 3070070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).