furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium

C13H16NO2+ — CID 4090515

IUPACfuran-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium
SMILESCOc1ccccc1C[NH2+]Cc1ccco1
InChIInChI=1S/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3/p+1
InChIKeyWKNQLAHUYDYUNM-UHFFFAOYSA-O
MW218.28 g/mol
LogP1.55
Rot. Bonds5

About furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium

furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium (PubChem CID 4090515) has the molecular formula C13H16NO2+ and a molecular weight of 218.28 g/mol. Its IUPAC name is furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium
PubChem CID4090515
Molecular FormulaC13H16NO2+
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Namefuran-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium
SMILESCOc1ccccc1C[NH2+]Cc1ccco1
InChIInChI=1S/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3/p+1
InChIKeyWKNQLAHUYDYUNM-UHFFFAOYSA-O
XLogP1.55
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742
2-(furan-2-ylmethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62999600
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium
CID 7458263
1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 110933655
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259587
3-(furan-2-ylmethylamino)-4-[2-(2-methoxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione
CID 53368651
2-chloro-N-(furan-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39402827
2-[3-(2-methoxyphenyl)prop-1-ynyl]furan
CID 101416013
(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458290
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907
(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium?
The IUPAC name of furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium (CID 4090515) is furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium?
The canonical SMILES for furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium is COc1ccccc1C[NH2+]Cc1ccco1.
What is the InChIKey of furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium?
The InChIKey is WKNQLAHUYDYUNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3/p+1.
What are the key properties of furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium?
furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium has a molecular weight of 218.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 4090515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).