1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine

C15H22BrNO — CID 115847250

IUPAC1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H22BrNO/c1-17-14(9-11-5-3-4-6-11)13-8-7-12(16)10-15(13)18-2/h7-8,10-11,14,17H,3-6,9H2,1-2H3
InChIKeyDMXUYYZJIOFAMS-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine

1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine (PubChem CID 115847250) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
PubChem CID115847250
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H22BrNO/c1-17-14(9-11-5-3-4-6-11)13-8-7-12(16)10-15(13)18-2/h7-8,10-11,14,17H,3-6,9H2,1-2H3
InChIKeyDMXUYYZJIOFAMS-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105311172
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986510
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581
1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine
CID 103163381
1-(4-bromo-2-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993158
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
CID 115842237
1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951457

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine (CID 115847250) is 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine is CNC(CC1CCCC1)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine?
The InChIKey is DMXUYYZJIOFAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-17-14(9-11-5-3-4-6-11)13-8-7-12(16)10-15(13)18-2/h7-8,10-11,14,17H,3-6,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine?
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 115847250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).