2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride

C16H20ClNO2 — CID 2752224

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
SMILESCOc1cc(CC[NH3+])ccc1OCc1ccccc1.[Cl-]
InChIInChI=1S/C16H19NO2.ClH/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14;/h2-8,11H,9-10,12,17H2,1H3;1H
InChIKeyOPGMJXDCEQHKQD-UHFFFAOYSA-N
MW293.79 g/mol
LogP-0.94
Rot. Bonds6

About 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride

2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride (PubChem CID 2752224) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
PubChem CID2752224
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
SMILESCOc1cc(CC[NH3+])ccc1OCc1ccccc1.[Cl-]
InChIInChI=1S/C16H19NO2.ClH/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14;/h2-8,11H,9-10,12,17H2,1H3;1H
InChIKeyOPGMJXDCEQHKQD-UHFFFAOYSA-N
XLogP-0.94
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
CID 131667709
3-methoxy-4-phenylmethoxyaniline
CID 27226
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride (CID 2752224) is 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride is COc1cc(CC[NH3+])ccc1OCc1ccccc1.[Cl-].
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride?
The InChIKey is OPGMJXDCEQHKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14;/h2-8,11H,9-10,12,17H2,1H3;1H.
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride?
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride has a molecular weight of 293.79 g/mol, XLogP of -0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride is sourced from PubChem (CID 2752224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).