2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium

C16H19FNO+ — CID 2249443

IUPAC2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
SMILESCOc1ccccc1C[NH2+]CCc1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-19-16-8-3-2-6-14(16)12-18-10-9-13-5-4-7-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3/p+1
InChIKeyPHZSUWYEINSOBM-UHFFFAOYSA-O
MW260.33 g/mol
LogP2.14
Rot. Bonds6

About 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium

2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium (PubChem CID 2249443) has the molecular formula C16H19FNO+ and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
PubChem CID2249443
Molecular FormulaC16H19FNO+
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
SMILESCOc1ccccc1C[NH2+]CCc1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-19-16-8-3-2-6-14(16)12-18-10-9-13-5-4-7-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3/p+1
InChIKeyPHZSUWYEINSOBM-UHFFFAOYSA-O
XLogP2.14
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium
CID 2063765
1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
CID 142218123
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
CID 66041110
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
(2-bromophenyl)methyl-[2-(3-methoxyphenyl)ethyl]azanium
CID 2163313
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780
(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium?
The IUPAC name of 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium (CID 2249443) is 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium.
What is the SMILES notation for 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium?
The canonical SMILES for 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium is COc1ccccc1C[NH2+]CCc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium?
The InChIKey is PHZSUWYEINSOBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18FNO/c1-19-16-8-3-2-6-14(16)12-18-10-9-13-5-4-7-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3/p+1.
What are the key properties of 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium?
2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium has a molecular weight of 260.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 2249443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).