[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine

C17H26BrNO — CID 65393492

IUPAC[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrNO/c1-2-14-7-9-17(13-19,10-8-14)11-12-20-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13,19H2,1H3
InChIKeyLJKATBMSMHEKEC-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.76
Rot. Bonds6

About [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine

[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine (PubChem CID 65393492) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
PubChem CID65393492
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrNO/c1-2-14-7-9-17(13-19,10-8-14)11-12-20-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13,19H2,1H3
InChIKeyLJKATBMSMHEKEC-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Bromo-phenoxy)-phenyl-methyl]-piperidine
CID 9819594
3-(4-bromophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 73074007
3-(4-bromo-3-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 164616245
3-(4-bromo-2-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 164626360
1-Bromo-2-fluoro-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 59609868
4-Bromo-2-fluoro-1-[(4-pentylcyclohexyl)methoxy]benzene
CID 59609871
4-Bromo-2-fluoro-1-[(4-propylcyclohexyl)methoxy]benzene
CID 68010500
[2-(2-Bromo-4-fluorophenoxy)-4-propylcyclohexyl]methanamine
CID 43531025
[2-(2-Bromo-4-fluorophenoxy)-4-ethylcyclohexyl]methanamine
CID 43531026
[2-(2-Bromo-4-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531027
[2-(2-Bromo-4-fluorophenoxy)-4-tert-butylcyclohexyl]methanamine
CID 43531030
[2-(4-Bromo-2-fluorophenoxy)-4-propylcyclohexyl]methanamine
CID 43531305

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine (CID 65393492) is [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is LJKATBMSMHEKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-14-7-9-17(13-19,10-8-14)11-12-20-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13,19H2,1H3.
What are the key properties of [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine?
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 340.31 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65393492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).