1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile

C14H16BrNO — CID 65376174

IUPAC1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CCOc2cccc(Br)c2)CCCC1
InChIInChI=1S/C14H16BrNO/c15-12-4-3-5-13(10-12)17-9-8-14(11-16)6-1-2-7-14/h3-5,10H,1-2,6-9H2
InChIKeyLLUAMXWBSRAUCJ-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.30
Rot. Bonds4

About 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile

1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 65376174) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID65376174
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CCOc2cccc(Br)c2)CCCC1
InChIInChI=1S/C14H16BrNO/c15-12-4-3-5-13(10-12)17-9-8-14(11-16)6-1-2-7-14/h3-5,10H,1-2,6-9H2
InChIKeyLLUAMXWBSRAUCJ-UHFFFAOYSA-N
XLogP4.30
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenoxyethyl)cycloheptane-1-carbonitrile
CID 65389721
1-[2-(3-bromophenoxy)ethyl]-3-ethylcyclopentane-1-carbonitrile
CID 65414927
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025
1-[[2-(3-bromophenoxy)ethylamino]methyl]cycloheptan-1-ol
CID 65123551
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715280
3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
CID 63456840
4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide
CID 166276255
3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
CID 79451126
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
4-[2-(3-bromophenoxy)ethoxy]-3-fluorobenzonitrile
CID 107667700
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile (CID 65376174) is 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile is N#CC1(CCOc2cccc(Br)c2)CCCC1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is LLUAMXWBSRAUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-12-4-3-5-13(10-12)17-9-8-14(11-16)6-1-2-7-14/h3-5,10H,1-2,6-9H2.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile?
1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 294.19 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65376174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).