(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium

C17H21FNO2+ — CID 2063765

IUPAC(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium
SMILESCOc1ccc(C[NH2+]CCc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-20-16-7-6-14(17(11-16)21-2)12-19-9-8-13-4-3-5-15(18)10-13/h3-7,10-11,19H,8-9,12H2,1-2H3/p+1
InChIKeyZCFZTVFHYVEJJW-UHFFFAOYSA-O
MW290.36 g/mol
LogP2.15
Rot. Bonds7

About (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium

(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium (PubChem CID 2063765) has the molecular formula C17H21FNO2+ and a molecular weight of 290.36 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium
PubChem CID2063765
Molecular FormulaC17H21FNO2+
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium
SMILESCOc1ccc(C[NH2+]CCc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-20-16-7-6-14(17(11-16)21-2)12-19-9-8-13-4-3-5-15(18)10-13/h3-7,10-11,19H,8-9,12H2,1-2H3/p+1
InChIKeyZCFZTVFHYVEJJW-UHFFFAOYSA-O
XLogP2.15
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
CID 2249443
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
(2-bromophenyl)methyl-[2-(3-methoxyphenyl)ethyl]azanium
CID 2163313
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-fluorophenyl)ethyl]-1,2-dimethylguanidine
CID 111297477
(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
CID 3648787
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
(4,5-dimethoxy-2-nitrophenyl)methyl-[2-(3-methoxyphenyl)ethyl]azanium
CID 2247339
1-[(2,4-dimethoxyphenyl)methyl]-3-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 111296873
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
CID 142218123
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium (CID 2063765) is (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium is COc1ccc(C[NH2+]CCc2cccc(F)c2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium?
The InChIKey is ZCFZTVFHYVEJJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20FNO2/c1-20-16-7-6-14(17(11-16)21-2)12-19-9-8-13-4-3-5-15(18)10-13/h3-7,10-11,19H,8-9,12H2,1-2H3/p+1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium?
(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium has a molecular weight of 290.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium is sourced from PubChem (CID 2063765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).