2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium

C20H21ClNO2+ — CID 2515433

IUPAC2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium
SMILESC[NH+](CCOc1ccc(Cl)cc1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C20H20ClNO2/c1-22(12-13-24-17-9-7-16(21)8-10-17)14-19-18-5-3-2-4-15(18)6-11-20(19)23/h2-11,23H,12-14H2,1H3/p+1
InChIKeyGBVPQVWQNCEGSC-UHFFFAOYSA-O
MW342.85 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium

2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium (PubChem CID 2515433) has the molecular formula C20H21ClNO2+ and a molecular weight of 342.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium
PubChem CID2515433
Molecular FormulaC20H21ClNO2+
Molecular Weight342.85 g/mol
Exact Mass342.13
IUPAC Name2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium
SMILESC[NH+](CCOc1ccc(Cl)cc1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C20H20ClNO2/c1-22(12-13-24-17-9-7-16(21)8-10-17)14-19-18-5-3-2-4-15(18)6-11-20(19)23/h2-11,23H,12-14H2,1H3/p+1
InChIKeyGBVPQVWQNCEGSC-UHFFFAOYSA-O
XLogP3.29
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252186
2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8676736
1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
CID 54578724
2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9252465
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
CID 20989037
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[(2-hydroxynaphthalen-1-yl)methyl]-propan-2-ylazanium
CID 9241821
2-(4-chlorophenoxy)ethyl-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9252388
1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589889
2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol
CID 174353269
1-(2-aminooxyethyl)naphthalen-2-ol
CID 117291431

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium?
The IUPAC name of 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium (CID 2515433) is 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium is C[NH+](CCOc1ccc(Cl)cc1)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium?
The InChIKey is GBVPQVWQNCEGSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20ClNO2/c1-22(12-13-24-17-9-7-16(21)8-10-17)14-19-18-5-3-2-4-15(18)6-11-20(19)23/h2-11,23H,12-14H2,1H3/p+1.
What are the key properties of 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium?
2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium has a molecular weight of 342.85 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium is sourced from PubChem (CID 2515433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).