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

C16H24BrNO — CID 115817547

IUPAC1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
SMILESCNC(Cc1cc(Br)ccc1OC)CC1CCCC1
InChIInChI=1S/C16H24BrNO/c1-18-15(9-12-5-3-4-6-12)11-13-10-14(17)7-8-16(13)19-2/h7-8,10,12,15,18H,3-6,9,11H2,1-2H3
InChIKeyGSXGYFRLTCCPEH-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.17
Rot. Bonds6

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

1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine (PubChem CID 115817547) 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-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
PubChem CID115817547
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
SMILESCNC(Cc1cc(Br)ccc1OC)CC1CCCC1
InChIInChI=1S/C16H24BrNO/c1-18-15(9-12-5-3-4-6-12)11-13-10-14(17)7-8-16(13)19-2/h7-8,10,12,15,18H,3-6,9,11H2,1-2H3
InChIKeyGSXGYFRLTCCPEH-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
CID 103169906
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
1-(5-bromo-2-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115816968
1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
CID 115779341
1-(5-bromo-2-methoxyphenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661454
4-(5-bromo-2-methoxyphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346330
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine
CID 65092395
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779325
1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
CID 105269705

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine (CID 115817547) is 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine is CNC(Cc1cc(Br)ccc1OC)CC1CCCC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine?
The InChIKey is GSXGYFRLTCCPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18-15(9-12-5-3-4-6-12)11-13-10-14(17)7-8-16(13)19-2/h7-8,10,12,15,18H,3-6,9,11H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.17, 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-2-amine is sourced from PubChem (CID 115817547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).