cyclopentyl-[(4-methoxyphenyl)methyl]azanium

C13H20NO+ — CID 4742547

IUPACcyclopentyl-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C2CCCC2)cc1
InChIInChI=1S/C13H19NO/c1-15-13-8-6-11(7-9-13)10-14-12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3/p+1
InChIKeyLVSGBNFVCJKBJD-UHFFFAOYSA-O
MW206.31 g/mol
LogP1.70
Rot. Bonds4

About cyclopentyl-[(4-methoxyphenyl)methyl]azanium

cyclopentyl-[(4-methoxyphenyl)methyl]azanium (PubChem CID 4742547) has the molecular formula C13H20NO+ and a molecular weight of 206.31 g/mol. Its IUPAC name is cyclopentyl-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[(4-methoxyphenyl)methyl]azanium
PubChem CID4742547
Molecular FormulaC13H20NO+
Molecular Weight206.31 g/mol
Exact Mass206.15
IUPAC Namecyclopentyl-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C2CCCC2)cc1
InChIInChI=1S/C13H19NO/c1-15-13-8-6-11(7-9-13)10-14-12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3/p+1
InChIKeyLVSGBNFVCJKBJD-UHFFFAOYSA-O
XLogP1.70
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
CID 4743348
[4-(2-amino-2-oxoethoxy)phenyl]methyl-cyclopentylazanium
CID 7462459
cyclooctyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8621041
cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9265502
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
cyclohexyl-[4-(4-methoxyphenoxy)but-2-ynyl]azanium
CID 2195255
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
[(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6944161
cycloheptyl-[(4-nitrophenyl)methyl]azanium
CID 4743395
(3-cyclohexyl-3-oxopropyl)-[(4-methoxyphenyl)methyl]azanium chloride
CID 110184835
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of cyclopentyl-[(4-methoxyphenyl)methyl]azanium (CID 4742547) is cyclopentyl-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for cyclopentyl-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for cyclopentyl-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is LVSGBNFVCJKBJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19NO/c1-15-13-8-6-11(7-9-13)10-14-12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3/p+1.
What are the key properties of cyclopentyl-[(4-methoxyphenyl)methyl]azanium?
cyclopentyl-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 206.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 4742547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).