1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine

C16H24BrNO — CID 105138866

IUPAC1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-3-18-16(10-12-6-4-5-7-12)14-11-13(19-2)8-9-15(14)17/h8-9,11-12,16,18H,3-7,10H2,1-2H3
InChIKeyQEGXNSZXQXTSSF-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.69
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine

1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine (PubChem CID 105138866) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
PubChem CID105138866
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-3-18-16(10-12-6-4-5-7-12)14-11-13(19-2)8-9-15(14)17/h8-9,11-12,16,18H,3-7,10H2,1-2H3
InChIKeyQEGXNSZXQXTSSF-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 105167818
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine (CID 105138866) is 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine is CCNC(CC1CCCC1)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine?
The InChIKey is QEGXNSZXQXTSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18-16(10-12-6-4-5-7-12)14-11-13(19-2)8-9-15(14)17/h8-9,11-12,16,18H,3-7,10H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine?
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 105138866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).