1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol

C19H31NO — CID 79058910

IUPAC1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)C2(N(CC)CC)CCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-16-9-11-17(12-10-16)15-18(21)19(13-7-8-14-19)20(5-2)6-3/h9-12,18,21H,4-8,13-15H2,1-3H3
InChIKeyABJUDPRZBNVPLP-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.81
Rot. Bonds7

About 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol

1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol (PubChem CID 79058910) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol
PubChem CID79058910
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)C2(N(CC)CC)CCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-16-9-11-17(12-10-16)15-18(21)19(13-7-8-14-19)20(5-2)6-3/h9-12,18,21H,4-8,13-15H2,1-3H3
InChIKeyABJUDPRZBNVPLP-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol (CID 79058910) is 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)C2(N(CC)CC)CCCC2)cc1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol?
The InChIKey is ABJUDPRZBNVPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-16-9-11-17(12-10-16)15-18(21)19(13-7-8-14-19)20(5-2)6-3/h9-12,18,21H,4-8,13-15H2,1-3H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol?
1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol has a molecular weight of 289.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 79058910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).