cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium

C15H24NO3+ — CID 6941897

IUPACcyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C2CCCC2)c(OC)c1OC
InChIInChI=1S/C15H23NO3/c1-17-13-9-8-11(14(18-2)15(13)19-3)10-16-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3/p+1
InChIKeyWQFRXDPSYHVMLY-UHFFFAOYSA-O
MW266.36 g/mol
LogP1.72
Rot. Bonds6

About cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium

cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium (PubChem CID 6941897) has the molecular formula C15H24NO3+ and a molecular weight of 266.36 g/mol. Its IUPAC name is cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
PubChem CID6941897
Molecular FormulaC15H24NO3+
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Namecyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C2CCCC2)c(OC)c1OC
InChIInChI=1S/C15H23NO3/c1-17-13-9-8-11(14(18-2)15(13)19-3)10-16-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3/p+1
InChIKeyWQFRXDPSYHVMLY-UHFFFAOYSA-O
XLogP1.72
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxynaphthalen-1-yl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 6944223
cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium
CID 7175810
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
CID 4743348
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25494679
(3-bromo-4,5-dimethoxyphenyl)methyl-cyclooctylazanium
CID 8620910
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
cyclopentyl-[(4-methoxyphenyl)methyl]azanium
CID 4742547
1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 162432629
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148341
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium?
The IUPAC name of cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium (CID 6941897) is cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium.
What is the SMILES notation for cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium?
The canonical SMILES for cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]C2CCCC2)c(OC)c1OC.
What is the InChIKey of cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium?
The InChIKey is WQFRXDPSYHVMLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23NO3/c1-17-13-9-8-11(14(18-2)15(13)19-3)10-16-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3/p+1.
What are the key properties of cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium?
cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium has a molecular weight of 266.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 6941897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).