(2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

C17H20F2NO3+ — CID 3490601

IUPAC(2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2cc(F)ccc2F)cc(OC)c1OC
InChIInChI=1S/C17H19F2NO3/c1-21-15-6-11(7-16(22-2)17(15)23-3)9-20-10-12-8-13(18)4-5-14(12)19/h4-8,20H,9-10H2,1-3H3/p+1
InChIKeyJKKLZMOMFZJAQA-UHFFFAOYSA-O
MW324.35 g/mol
LogP2.25
Rot. Bonds7

About (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

(2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium (PubChem CID 3490601) has the molecular formula C17H20F2NO3+ and a molecular weight of 324.35 g/mol. Its IUPAC name is (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
PubChem CID3490601
Molecular FormulaC17H20F2NO3+
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name(2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2cc(F)ccc2F)cc(OC)c1OC
InChIInChI=1S/C17H19F2NO3/c1-21-15-6-11(7-16(22-2)17(15)23-3)9-20-10-12-8-13(18)4-5-14(12)19/h4-8,20H,9-10H2,1-3H3/p+1
InChIKeyJKKLZMOMFZJAQA-UHFFFAOYSA-O
XLogP2.25
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 7452688
(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
CID 7452788
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium
CID 7632298
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 83975169
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 119127152
[2-(4-fluorophenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2355431
2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
CID 2249443
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635366
N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 2358363
(4-methylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 91929332

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The IUPAC name of (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium (CID 3490601) is (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium.
What is the SMILES notation for (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The canonical SMILES for (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium is COc1cc(C[NH2+]Cc2cc(F)ccc2F)cc(OC)c1OC.
What is the InChIKey of (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The InChIKey is JKKLZMOMFZJAQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19F2NO3/c1-21-15-6-11(7-16(22-2)17(15)23-3)9-20-10-12-8-13(18)4-5-14(12)19/h4-8,20H,9-10H2,1-3H3/p+1.
What are the key properties of (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
(2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium has a molecular weight of 324.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 3490601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).