2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium

C17H21FNO+ — CID 2163765

IUPAC2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]CCc2ccccc2F)cc1C
InChIInChI=1S/C17H20FNO/c1-13-11-14(7-8-17(13)20-2)12-19-10-9-15-5-3-4-6-16(15)18/h3-8,11,19H,9-10,12H2,1-2H3/p+1
InChIKeyPIMBAVBOZJSOCR-UHFFFAOYSA-O
MW274.36 g/mol
LogP2.45
Rot. Bonds6

About 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium

2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium (PubChem CID 2163765) has the molecular formula C17H21FNO+ and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium
PubChem CID2163765
Molecular FormulaC17H21FNO+
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]CCc2ccccc2F)cc1C
InChIInChI=1S/C17H20FNO/c1-13-11-14(7-8-17(13)20-2)12-19-10-9-15-5-3-4-6-16(15)18/h3-8,11,19H,9-10,12H2,1-2H3/p+1
InChIKeyPIMBAVBOZJSOCR-UHFFFAOYSA-O
XLogP2.45
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)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

(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780
(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
CID 7452788
(3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium
CID 3648788
1-[2-(2-fluorophenyl)ethyl]-4-methoxynaphthalene
CID 175737781
(4-methoxy-3-methylphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 6942638
2-[4-[3-(2-fluorophenyl)propoxy]-3-methoxyphenyl]ethanamine
CID 91159456
2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
CID 2249443
2-(2,4-dichlorophenyl)ethyl-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium
CID 7418975
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635366
1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111589131
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium?
The IUPAC name of 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium (CID 2163765) is 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium?
The canonical SMILES for 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium is COc1ccc(C[NH2+]CCc2ccccc2F)cc1C.
What is the InChIKey of 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium?
The InChIKey is PIMBAVBOZJSOCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20FNO/c1-13-11-14(7-8-17(13)20-2)12-19-10-9-15-5-3-4-6-16(15)18/h3-8,11,19H,9-10,12H2,1-2H3/p+1.
What are the key properties of 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium?
2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium has a molecular weight of 274.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium is sourced from PubChem (CID 2163765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).