2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol

C15H22BrNO2 — CID 102947682

IUPAC2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
SMILESCCNC(C)c1ccc(Br)cc1OC1CCCC1O
InChIInChI=1S/C15H22BrNO2/c1-3-17-10(2)12-8-7-11(16)9-15(12)19-14-6-4-5-13(14)18/h7-10,13-14,17-18H,3-6H2,1-2H3
InChIKeyTVLWPMWYYNFYJQ-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.41
Rot. Bonds5

About 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol

2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol (PubChem CID 102947682) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
PubChem CID102947682
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
SMILESCCNC(C)c1ccc(Br)cc1OC1CCCC1O
InChIInChI=1S/C15H22BrNO2/c1-3-17-10(2)12-8-7-11(16)9-15(12)19-14-6-4-5-13(14)18/h7-10,13-14,17-18H,3-6H2,1-2H3
InChIKeyTVLWPMWYYNFYJQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 82953599
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]cyclopentan-1-ol
CID 60889044
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
CID 62368559
(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
CID 102948860
2-[3-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 60881566
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-(4-bromo-2-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 82968989
1-[4-bromo-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-N-ethylethanamine
CID 82956092
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol (CID 102947682) is 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol is CCNC(C)c1ccc(Br)cc1OC1CCCC1O.
What is the InChIKey of 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol?
The InChIKey is TVLWPMWYYNFYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-17-10(2)12-8-7-11(16)9-15(12)19-14-6-4-5-13(14)18/h7-10,13-14,17-18H,3-6H2,1-2H3.
What are the key properties of 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol?
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 102947682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).