1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine

C16H24BrNO — CID 63863014

IUPAC1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCCCC1Oc1ccc(Br)cc1C(C)N
InChIInChI=1S/C16H24BrNO/c1-3-12-6-4-5-7-15(12)19-16-9-8-13(17)10-14(16)11(2)18/h8-12,15H,3-7,18H2,1-2H3
InChIKeyUOIPQYZWGDEEFJ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.82
Rot. Bonds4

About 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine

1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 63863014) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID63863014
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCC1CCCCC1Oc1ccc(Br)cc1C(C)N
InChIInChI=1S/C16H24BrNO/c1-3-12-6-4-5-7-15(12)19-16-9-8-13(17)10-14(16)11(2)18/h8-12,15H,3-7,18H2,1-2H3
InChIKeyUOIPQYZWGDEEFJ-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
CID 102948860
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
CID 78953333
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 63863292
1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 82967703
1-[2-(2-ethylcyclohexyl)oxy-3-pyridinyl]ethanamine
CID 114056592
3-[2-(1-aminoethyl)-4-bromophenoxy]azepan-2-one
CID 62369381
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine (CID 63863014) is 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine is CCC1CCCCC1Oc1ccc(Br)cc1C(C)N.
What is the InChIKey of 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is UOIPQYZWGDEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-12-6-4-5-7-15(12)19-16-9-8-13(17)10-14(16)11(2)18/h8-12,15H,3-7,18H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 63863014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).