2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol

C17H27NO3 — CID 62016041

IUPAC2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
SMILESCCOc1ccc(OCCN(CCO)C2CCCC2)cc1
InChIInChI=1S/C17H27NO3/c1-2-20-16-7-9-17(10-8-16)21-14-12-18(11-13-19)15-5-3-4-6-15/h7-10,15,19H,2-6,11-14H2,1H3
InChIKeySTJFEFDRDJBQBE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.70
Rot. Bonds9

About 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol

2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol (PubChem CID 62016041) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
PubChem CID62016041
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
SMILESCCOc1ccc(OCCN(CCO)C2CCCC2)cc1
InChIInChI=1S/C17H27NO3/c1-2-20-16-7-9-17(10-8-16)21-14-12-18(11-13-19)15-5-3-4-6-15/h7-10,15,19H,2-6,11-14H2,1H3
InChIKeySTJFEFDRDJBQBE-UHFFFAOYSA-N
XLogP2.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 60911429
2-[2-(4-aminophenoxy)ethyl-cyclopentylamino]ethanol
CID 54993366
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
CID 102860586
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile
CID 43541120
2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
3-[3-(4-aminophenoxy)propyl-cyclobutylamino]propan-1-ol
CID 102859994
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63573866
2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol
CID 60696695
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 63470319
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol (CID 62016041) is 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol is CCOc1ccc(OCCN(CCO)C2CCCC2)cc1.
What is the InChIKey of 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol?
The InChIKey is STJFEFDRDJBQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-20-16-7-9-17(10-8-16)21-14-12-18(11-13-19)15-5-3-4-6-15/h7-10,15,19H,2-6,11-14H2,1H3.
What are the key properties of 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol?
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol has a molecular weight of 293.41 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 62016041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).