2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine

C16H24BrNO — CID 65413976

IUPAC2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)C1CCC(C)C1
InChIInChI=1S/C16H24BrNO/c1-11-4-5-12(8-11)15(18-2)10-13-9-14(17)6-7-16(13)19-3/h6-7,9,11-12,15,18H,4-5,8,10H2,1-3H3
InChIKeyCAJJAFRRMKCACW-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.02
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine

2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine (PubChem CID 65413976) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
PubChem CID65413976
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)C1CCC(C)C1
InChIInChI=1S/C16H24BrNO/c1-11-4-5-12(8-11)15(18-2)10-13-9-14(17)6-7-16(13)19-3/h6-7,9,11-12,15,18H,4-5,8,10H2,1-3H3
InChIKeyCAJJAFRRMKCACW-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 115817658
2-(2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414979
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290129
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115816995
[2-(5-bromo-2-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233180
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine (CID 65413976) is 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine is CNC(Cc1cc(Br)ccc1OC)C1CCC(C)C1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine?
The InChIKey is CAJJAFRRMKCACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11-4-5-12(8-11)15(18-2)10-13-9-14(17)6-7-16(13)19-3/h6-7,9,11-12,15,18H,4-5,8,10H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine is sourced from PubChem (CID 65413976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).