1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine

C16H24BrNO — CID 106202278

IUPAC1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCC2CCC2)c(Br)c1
InChIInChI=1S/C16H24BrNO/c1-3-18-12(2)14-7-8-16(15(17)11-14)19-10-9-13-5-4-6-13/h7-8,11-13,18H,3-6,9-10H2,1-2H3
InChIKeyHJUBCVRUPUPJHR-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.69
Rot. Bonds7

About 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine

1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine (PubChem CID 106202278) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
PubChem CID106202278
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCC2CCC2)c(Br)c1
InChIInChI=1S/C16H24BrNO/c1-3-18-12(2)14-7-8-16(15(17)11-14)19-10-9-13-5-4-6-13/h7-8,11-13,18H,3-6,9-10H2,1-2H3
InChIKeyHJUBCVRUPUPJHR-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine
CID 106201082
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63532113
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
CID 62911909
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
CID 104658059
1-(3-bromo-4-propoxyphenyl)-3-cyclopentylpropan-1-amine
CID 104657835
1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202367
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine (CID 106202278) is 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCCC2CCC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine?
The InChIKey is HJUBCVRUPUPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18-12(2)14-7-8-16(15(17)11-14)19-10-9-13-5-4-6-13/h7-8,11-13,18H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine?
1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 106202278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).