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

C17H28ClNO — CID 3070069

IUPAC1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride
SMILESCCN(CC)CC(O)c1ccc(C2CCCC2)cc1.Cl
InChIInChI=1S/C17H27NO.ClH/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;1H
InChIKeyDENQSSCWQVWPAU-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.14
Rot. Bonds6

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

1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride (PubChem CID 3070069) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride
PubChem CID3070069
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride
SMILESCCN(CC)CC(O)c1ccc(C2CCCC2)cc1.Cl
InChIInChI=1S/C17H27NO.ClH/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;1H
InChIKeyDENQSSCWQVWPAU-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride?
The IUPAC name of 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride (CID 3070069) is 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride is CCN(CC)CC(O)c1ccc(C2CCCC2)cc1.Cl.
What is the InChIKey of 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride?
The InChIKey is DENQSSCWQVWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.ClH/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;1H.
What are the key properties of 1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride?
1-(4-cyclopentylphenyl)-2-(diethylamino)ethanol;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.14, 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;hydrochloride is sourced from PubChem (CID 3070069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).