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

C16H19FNO2+ — CID 7452788

IUPAC(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]Cc2ccccc2F)cc1OC
InChIInChI=1S/C16H18FNO2/c1-19-15-8-7-12(9-16(15)20-2)10-18-11-13-5-3-4-6-14(13)17/h3-9,18H,10-11H2,1-2H3/p+1
InChIKeySYNXVLNJFVMICD-UHFFFAOYSA-O
MW276.33 g/mol
LogP2.11
Rot. Bonds6

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

(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium (PubChem CID 7452788) has the molecular formula C16H19FNO2+ and a molecular weight of 276.33 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
PubChem CID7452788
Molecular FormulaC16H19FNO2+
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]Cc2ccccc2F)cc1OC
InChIInChI=1S/C16H18FNO2/c1-19-15-8-7-12(9-16(15)20-2)10-18-11-13-5-3-4-6-14(13)17/h3-9,18H,10-11H2,1-2H3/p+1
InChIKeySYNXVLNJFVMICD-UHFFFAOYSA-O
XLogP2.11
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium
CID 2163765
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087
2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
CID 91159456
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635366
(2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 3490601
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
1,3-benzodioxol-5-ylmethyl-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium chloride
CID 44664744
(3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium
CID 7203495
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
(3,4-dimethoxyphenyl)methyl-prop-2-enylazanium
CID 2197774
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium?
The IUPAC name of (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium (CID 7452788) is (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium is COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium?
The InChIKey is SYNXVLNJFVMICD-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18FNO2/c1-19-15-8-7-12(9-16(15)20-2)10-18-11-13-5-3-4-6-14(13)17/h3-9,18H,10-11H2,1-2H3/p+1.
What are the key properties of (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium?
(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium has a molecular weight of 276.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium is sourced from PubChem (CID 7452788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).