2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine

C11H12Cl2FN — CID 115891014

IUPAC2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C11H12Cl2FN/c1-7(12)6-15-8(2)10-4-3-9(14)5-11(10)13/h3-5,8,15H,1,6H2,2H3
InChIKeyXUGHASMOXQGDQY-UHFFFAOYSA-N
MW248.13 g/mol
LogP3.88
Rot. Bonds4

About 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine

2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 115891014) has the molecular formula C11H12Cl2FN and a molecular weight of 248.13 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
PubChem CID115891014
Molecular FormulaC11H12Cl2FN
Molecular Weight248.13 g/mol
Exact Mass247.03
IUPAC Name2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C11H12Cl2FN/c1-7(12)6-15-8(2)10-4-3-9(14)5-11(10)13/h3-5,8,15H,1,6H2,2H3
InChIKeyXUGHASMOXQGDQY-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine 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-chloro-N-[1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 60694536
2-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81379340
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
1-(2-chloro-4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 113348932
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460624
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine (CID 115891014) is 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine is C=C(Cl)CNC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is XUGHASMOXQGDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FN/c1-7(12)6-15-8(2)10-4-3-9(14)5-11(10)13/h3-5,8,15H,1,6H2,2H3.
What are the key properties of 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine?
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 248.13 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 115891014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).