2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine

C14H20BrNO — CID 61391935

IUPAC2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine
SMILESNCCc1cccc(Br)c1OC1CCCCC1
InChIInChI=1S/C14H20BrNO/c15-13-8-4-5-11(9-10-16)14(13)17-12-6-2-1-3-7-12/h4-5,8,12H,1-3,6-7,9-10,16H2
InChIKeyIYJKJEUJPHMSFU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds4

About 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine

2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine (PubChem CID 61391935) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine
PubChem CID61391935
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine
SMILESNCCc1cccc(Br)c1OC1CCCCC1
InChIInChI=1S/C14H20BrNO/c15-13-8-4-5-11(9-10-16)14(13)17-12-6-2-1-3-7-12/h4-5,8,12H,1-3,6-7,9-10,16H2
InChIKeyIYJKJEUJPHMSFU-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 61392040
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
[3-bromo-2-(oxan-3-yloxy)phenyl]methanamine
CID 107134325
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
2-[2-(2-aminoethyl)-6-bromophenoxy]-1-(azepan-1-yl)ethanone
CID 61391992
2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
CID 114620711
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine (CID 61391935) is 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine is NCCc1cccc(Br)c1OC1CCCCC1.
What is the InChIKey of 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine?
The InChIKey is IYJKJEUJPHMSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-8-4-5-11(9-10-16)14(13)17-12-6-2-1-3-7-12/h4-5,8,12H,1-3,6-7,9-10,16H2.
What are the key properties of 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine?
2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine is sourced from PubChem (CID 61391935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).