1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene

C14H19BrO — CID 166785433

IUPAC1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
SMILESCC(OCCC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO/c1-11(13-5-7-14(15)8-6-13)16-10-9-12-3-2-4-12/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyWVCLXDRCXUOLNP-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.72
Rot. Bonds5

About 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene

1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene (PubChem CID 166785433) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
PubChem CID166785433
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
SMILESCC(OCCC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO/c1-11(13-5-7-14(15)8-6-13)16-10-9-12-3-2-4-12/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyWVCLXDRCXUOLNP-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200075
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
CID 106204927
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165570
(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81354090
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene?
The IUPAC name of 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene (CID 166785433) is 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene is CC(OCCC1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene?
The InChIKey is WVCLXDRCXUOLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-11(13-5-7-14(15)8-6-13)16-10-9-12-3-2-4-12/h5-8,11-12H,2-4,9-10H2,1H3.
What are the key properties of 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene?
1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene has a molecular weight of 283.21 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene is sourced from PubChem (CID 166785433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).