[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride

C17H22ClNO2 — CID 121438268

IUPAC[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
SMILESCCOc1ccc(C([NH3+])c2ccccc2)c(OCC)c1.[Cl-]
InChIInChI=1S/C17H21NO2.ClH/c1-3-19-14-10-11-15(16(12-14)20-4-2)17(18)13-8-6-5-7-9-13;/h5-12,17H,3-4,18H2,1-2H3;1H
InChIKeyHFRBWLVJHIUXFN-UHFFFAOYSA-N
MW307.82 g/mol
LogP-0.18
Rot. Bonds6

About [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride

[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride (PubChem CID 121438268) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride.

Molecular Properties

Compound Name[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
PubChem CID121438268
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
SMILESCCOc1ccc(C([NH3+])c2ccccc2)c(OCC)c1.[Cl-]
InChIInChI=1S/C17H21NO2.ClH/c1-3-19-14-10-11-15(16(12-14)20-4-2)17(18)13-8-6-5-7-9-13;/h5-12,17H,3-4,18H2,1-2H3;1H
InChIKeyHFRBWLVJHIUXFN-UHFFFAOYSA-N
XLogP-0.18
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3,4-diethoxyphenyl)-phenylmethyl]azanium
CID 4712217
2,4-diethoxy-1-phenylbenzene
CID 132889855
[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride
CID 121438246
[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium chloride
CID 23004770
[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
CID 23004771
2-benzhydryl-4-ethoxyaniline
CID 174855019
ethoxybenzene chloride
CID 21193593
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179
3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane
CID 19858272
[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium
CID 4712225
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234
4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine
CID 57105695

Frequently Asked Questions

What is the IUPAC name of [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride?
The IUPAC name of [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride (CID 121438268) is [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride.
What is the SMILES notation for [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride?
The canonical SMILES for [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride is CCOc1ccc(C([NH3+])c2ccccc2)c(OCC)c1.[Cl-].
What is the InChIKey of [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride?
The InChIKey is HFRBWLVJHIUXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-3-19-14-10-11-15(16(12-14)20-4-2)17(18)13-8-6-5-7-9-13;/h5-12,17H,3-4,18H2,1-2H3;1H.
What are the key properties of [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride?
[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride has a molecular weight of 307.82 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride is sourced from PubChem (CID 121438268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).