1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine

C14H20BrNO — CID 62369537

IUPAC1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
SMILESCC(N)c1cc(Br)ccc1OC1CCCCC1
InChIInChI=1S/C14H20BrNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3
InChIKeyQYYPCBKUXQTSES-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.18
Rot. Bonds3

About 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine

1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine (PubChem CID 62369537) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
PubChem CID62369537
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
SMILESCC(N)c1cc(Br)ccc1OC1CCCCC1
InChIInChI=1S/C14H20BrNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3
InChIKeyQYYPCBKUXQTSES-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
(1S)-1-[4-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 102946940
3-(5-bromo-2-cyclobutyloxyphenyl)butanal
CID 117478597
3-[2-(1-aminoethyl)-4-bromophenoxy]azepan-2-one
CID 62369381
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine (CID 62369537) is 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine is CC(N)c1cc(Br)ccc1OC1CCCCC1.
What is the InChIKey of 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine?
The InChIKey is QYYPCBKUXQTSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3.
What are the key properties of 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine?
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine has a molecular weight of 298.22 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine is sourced from PubChem (CID 62369537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).