[(3,4-diethoxyphenyl)-phenylmethyl]azanium

C17H22NO2+ — CID 4712217

IUPAC[(3,4-diethoxyphenyl)-phenylmethyl]azanium
SMILESCCOc1ccc(C([NH3+])c2ccccc2)cc1OCC
InChIInChI=1S/C17H21NO2/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-12,17H,3-4,18H2,1-2H3/p+1
InChIKeySORPYFIKHAVNIY-UHFFFAOYSA-O
MW272.37 g/mol
LogP2.82
Rot. Bonds6

About [(3,4-diethoxyphenyl)-phenylmethyl]azanium

[(3,4-diethoxyphenyl)-phenylmethyl]azanium (PubChem CID 4712217) has the molecular formula C17H22NO2+ and a molecular weight of 272.37 g/mol. Its IUPAC name is [(3,4-diethoxyphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(3,4-diethoxyphenyl)-phenylmethyl]azanium
PubChem CID4712217
Molecular FormulaC17H22NO2+
Molecular Weight272.37 g/mol
Exact Mass272.16
IUPAC Name[(3,4-diethoxyphenyl)-phenylmethyl]azanium
SMILESCCOc1ccc(C([NH3+])c2ccccc2)cc1OCC
InChIInChI=1S/C17H21NO2/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-12,17H,3-4,18H2,1-2H3/p+1
InChIKeySORPYFIKHAVNIY-UHFFFAOYSA-O
XLogP2.82
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium
CID 4712225
[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium chloride
CID 23004770
4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
CID 61080986
[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
CID 23004771
4-(1-bromo-2-phenylethyl)-1,2-diethoxybenzene
CID 63442286
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
2-ethoxy-1-methoxy-4-(2-methylsulfonyl-1-phenylethyl)benzene
CID 69484833
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene
CID 55199459
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303

Frequently Asked Questions

What is the IUPAC name of [(3,4-diethoxyphenyl)-phenylmethyl]azanium?
The IUPAC name of [(3,4-diethoxyphenyl)-phenylmethyl]azanium (CID 4712217) is [(3,4-diethoxyphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(3,4-diethoxyphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(3,4-diethoxyphenyl)-phenylmethyl]azanium is CCOc1ccc(C([NH3+])c2ccccc2)cc1OCC.
What is the InChIKey of [(3,4-diethoxyphenyl)-phenylmethyl]azanium?
The InChIKey is SORPYFIKHAVNIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21NO2/c1-3-19-15-11-10-14(12-16(15)20-4-2)17(18)13-8-6-5-7-9-13/h5-12,17H,3-4,18H2,1-2H3/p+1.
What are the key properties of [(3,4-diethoxyphenyl)-phenylmethyl]azanium?
[(3,4-diethoxyphenyl)-phenylmethyl]azanium has a molecular weight of 272.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-diethoxyphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 4712217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).