1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine

C13H18BrNO — CID 82975923

IUPAC1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
SMILESCC(N)c1ccc(Br)cc1OC1CCCC1
InChIInChI=1S/C13H18BrNO/c1-9(15)12-7-6-10(14)8-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3
InChIKeyUALOLVOVEKAMHA-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.79
Rot. Bonds3

About 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine

1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine (PubChem CID 82975923) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
PubChem CID82975923
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
SMILESCC(N)c1ccc(Br)cc1OC1CCCC1
InChIInChI=1S/C13H18BrNO/c1-9(15)12-7-6-10(14)8-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3
InChIKeyUALOLVOVEKAMHA-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
(1S)-1-[4-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 102946940
(1S)-1-[4-bromo-2-(3-methylsulfonylcyclohexyl)oxyphenyl]ethanamine
CID 102946952
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 102946379
1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
4-bromo-2-cyclohexyloxy-1-fluorobenzene
CID 114672606
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene
CID 118986735

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine (CID 82975923) is 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine is CC(N)c1ccc(Br)cc1OC1CCCC1.
What is the InChIKey of 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine?
The InChIKey is UALOLVOVEKAMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(15)12-7-6-10(14)8-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3.
What are the key properties of 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine?
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine is sourced from PubChem (CID 82975923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).