(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium

C16H18ClFNO+ — CID 8621780

IUPAC(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH2+]CCc1ccccc1F
InChIInChI=1S/C16H17ClFNO/c1-20-16-7-6-14(17)10-13(16)11-19-9-8-12-4-2-3-5-15(12)18/h2-7,10,19H,8-9,11H2,1H3/p+1
InChIKeyISDUIGUUCLVJJX-UHFFFAOYSA-O
MW294.78 g/mol
LogP2.79
Rot. Bonds6

About (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium

(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium (PubChem CID 8621780) has the molecular formula C16H18ClFNO+ and a molecular weight of 294.78 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
PubChem CID8621780
Molecular FormulaC16H18ClFNO+
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH2+]CCc1ccccc1F
InChIInChI=1S/C16H17ClFNO/c1-20-16-7-6-14(17)10-13(16)11-19-9-8-12-4-2-3-5-15(12)18/h2-7,10,19H,8-9,11H2,1H3/p+1
InChIKeyISDUIGUUCLVJJX-UHFFFAOYSA-O
XLogP2.79
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium
CID 2163765
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903
(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
CID 7452788
4-chloro-2-[3-chloro-2-(2-fluorophenyl)propyl]-1-methoxybenzene
CID 79454294
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
CID 2249443
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 103049616
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium (CID 8621780) is (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium is COc1ccc(Cl)cc1C[NH2+]CCc1ccccc1F.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium?
The InChIKey is ISDUIGUUCLVJJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17ClFNO/c1-20-16-7-6-14(17)10-13(16)11-19-9-8-12-4-2-3-5-15(12)18/h2-7,10,19H,8-9,11H2,1H3/p+1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium?
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium has a molecular weight of 294.78 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium is sourced from PubChem (CID 8621780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).