1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine

C16H24BrNO — CID 43480073

IUPAC1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H24BrNO/c1-18-15(9-7-12-5-3-4-6-12)14-11-13(17)8-10-16(14)19-2/h8,10-12,15,18H,3-7,9H2,1-2H3
InChIKeyCAIPKMYTHWFRHW-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.69
Rot. Bonds6

About 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine

1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine (PubChem CID 43480073) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
PubChem CID43480073
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H24BrNO/c1-18-15(9-7-12-5-3-4-6-12)14-11-13(17)8-10-16(14)19-2/h8,10-12,15,18H,3-7,9H2,1-2H3
InChIKeyCAIPKMYTHWFRHW-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

4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
CID 63435537
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 103394525
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951457
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
CID 63442742
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
CID 115779341
4-(5-bromo-2-methoxyphenyl)-4-(methylamino)butan-2-one
CID 116956001
3-cyclopropyl-1-(2-methoxy-4-methylphenyl)-N-methylpropan-1-amine
CID 106791881
4-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
CID 103165554

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine (CID 43480073) is 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine is CNC(CCC1CCCC1)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine?
The InChIKey is CAIPKMYTHWFRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18-15(9-7-12-5-3-4-6-12)14-11-13(17)8-10-16(14)19-2/h8,10-12,15,18H,3-7,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine?
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine 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-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine is sourced from PubChem (CID 43480073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).