cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium

C22H30NO2+ — CID 8637975

IUPACcyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium
SMILESCOc1cc(C[NH2+]C2CCCCC2)ccc1OCCc1ccccc1
InChIInChI=1S/C22H29NO2/c1-24-22-16-19(17-23-20-10-6-3-7-11-20)12-13-21(22)25-15-14-18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,20,23H,3,6-7,10-11,14-15,17H2,1H3/p+1
InChIKeyNDVWXHXGIFQQPU-UHFFFAOYSA-O
MW340.49 g/mol
LogP3.71
Rot. Bonds8

About cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium

cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium (PubChem CID 8637975) has the molecular formula C22H30NO2+ and a molecular weight of 340.49 g/mol. Its IUPAC name is cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium
PubChem CID8637975
Molecular FormulaC22H30NO2+
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC Namecyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium
SMILESCOc1cc(C[NH2+]C2CCCCC2)ccc1OCCc1ccccc1
InChIInChI=1S/C22H29NO2/c1-24-22-16-19(17-23-20-10-6-3-7-11-20)12-13-21(22)25-15-14-18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,20,23H,3,6-7,10-11,14-15,17H2,1H3/p+1
InChIKeyNDVWXHXGIFQQPU-UHFFFAOYSA-O
XLogP3.71
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium
CID 7600659
(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
CID 4743348
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7458340
(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
CID 7454835
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]acetonitrile
CID 4724686
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 2215420
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17159343
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]ethanol;hydrochloride
CID 17333168
2-(4-fluorophenyl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 4724668

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium?
The IUPAC name of cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium (CID 8637975) is cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium.
What is the SMILES notation for cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium?
The canonical SMILES for cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium is COc1cc(C[NH2+]C2CCCCC2)ccc1OCCc1ccccc1.
What is the InChIKey of cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium?
The InChIKey is NDVWXHXGIFQQPU-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29NO2/c1-24-22-16-19(17-23-20-10-6-3-7-11-20)12-13-21(22)25-15-14-18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,20,23H,3,6-7,10-11,14-15,17H2,1H3/p+1.
What are the key properties of cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium?
cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium has a molecular weight of 340.49 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 8637975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).