2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine

C11H14Cl2FN — CID 15240

IUPAC2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CN(CCCl)CCCl)cc1
InChIInChI=1S/C11H14Cl2FN/c12-5-7-15(8-6-13)9-10-1-3-11(14)4-2-10/h1-4H,5-9H2
InChIKeyXFYLJTALUWPUEI-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.11
Rot. Bonds6

About 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine

2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 15240) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID15240
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CN(CCCl)CCCl)cc1
InChIInChI=1S/C11H14Cl2FN/c12-5-7-15(8-6-13)9-10-1-3-11(14)4-2-10/h1-4H,5-9H2
InChIKeyXFYLJTALUWPUEI-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyltrimethylammonium chloride
CID 5963
N-(2-Chloroethyl)dibenzylamine
CID 5820
N,N-Dimethylbenzylamine
CID 7681
Benzyl triethylammonium chloride
CID 66133
1-Benzyl-2,5-dihydropyrrole
CID 561506
Dibenamine hydrochloride
CID 5925
N-Benzylnormechlorethamine
CID 5928
Benzyltriethylammonium
CID 17208
N-Allyl-N-methylbenzylamine
CID 3542547
N-(2-Chloroethyl)-N-ethyl-2-methylbenzylamine hydrochloride
CID 16757788
Benzenemethanamine, N,N-diethyl-
CID 61211
Dimethylbenzylamine hydrochloride
CID 519599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine (CID 15240) is 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine is Fc1ccc(CN(CCCl)CCCl)cc1.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is XFYLJTALUWPUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FN/c12-5-7-15(8-6-13)9-10-1-3-11(14)4-2-10/h1-4H,5-9H2.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine?
2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 250.14 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 15240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).