(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium

C14H24ClFN2+2 — CID 6938049

IUPAC(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
SMILESCC[NH+](CC)CC[NH+](C)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H22ClFN2/c1-4-18(5-2)10-9-17(3)11-12-13(15)7-6-8-14(12)16/h6-8H,4-5,9-11H2,1-3H3/p+2
InChIKeySMVYVDHAFRIEQF-UHFFFAOYSA-P
MW274.81 g/mol
LogP0.42
Rot. Bonds7

About (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium

(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium (PubChem CID 6938049) has the molecular formula C14H24ClFN2+2 and a molecular weight of 274.81 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
PubChem CID6938049
Molecular FormulaC14H24ClFN2+2
Molecular Weight274.81 g/mol
Exact Mass274.16
IUPAC Name(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
SMILESCC[NH+](CC)CC[NH+](C)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H22ClFN2/c1-4-18(5-2)10-9-17(3)11-12-13(15)7-6-8-14(12)16/h6-8H,4-5,9-11H2,1-3H3/p+2
InChIKeySMVYVDHAFRIEQF-UHFFFAOYSA-P
XLogP0.42
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.81
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium 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-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197253
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2657931
(2-chloro-6-fluorophenyl)methyl-[(2S)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylazanium
CID 2090776
(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9197321
(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9197194
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9197406
(2-chloro-6-fluorophenyl)methyl-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197396
(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium
CID 9117967
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium (CID 6938049) is (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium is CC[NH+](CC)CC[NH+](C)Cc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium?
The InChIKey is SMVYVDHAFRIEQF-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H22ClFN2/c1-4-18(5-2)10-9-17(3)11-12-13(15)7-6-8-14(12)16/h6-8H,4-5,9-11H2,1-3H3/p+2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium?
(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium has a molecular weight of 274.81 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium is sourced from PubChem (CID 6938049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).