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

C18H29NO — CID 79070717

IUPAC1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol
SMILESCCN(CC)C1(C(O)Cc2ccc(C)cc2)CCCC1
InChIInChI=1S/C18H29NO/c1-4-19(5-2)18(12-6-7-13-18)17(20)14-16-10-8-15(3)9-11-16/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyKXXBPJSMHPMHLT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.55
Rot. Bonds6

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

1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol (PubChem CID 79070717) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol
PubChem CID79070717
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol
SMILESCCN(CC)C1(C(O)Cc2ccc(C)cc2)CCCC1
InChIInChI=1S/C18H29NO/c1-4-19(5-2)18(12-6-7-13-18)17(20)14-16-10-8-15(3)9-11-16/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyKXXBPJSMHPMHLT-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.55
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-methylphenyl)ethanol?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol (CID 79070717) is 1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol is CCN(CC)C1(C(O)Cc2ccc(C)cc2)CCCC1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol?
The InChIKey is KXXBPJSMHPMHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-19(5-2)18(12-6-7-13-18)17(20)14-16-10-8-15(3)9-11-16/h8-11,17,20H,4-7,12-14H2,1-3H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol?
1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.55, 6 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-methylphenyl)ethanol is sourced from PubChem (CID 79070717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).