2-(5-chloro-2-fluorophenyl)-N-ethylethanamine

C10H13ClFN — CID 82491545

IUPAC2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCNCCc1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFN/c1-2-13-6-5-8-7-9(11)3-4-10(8)12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyAFTZYOPQNYWBGY-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.63
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine

2-(5-chloro-2-fluorophenyl)-N-ethylethanamine (PubChem CID 82491545) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
PubChem CID82491545
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCNCCc1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFN/c1-2-13-6-5-8-7-9(11)3-4-10(8)12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyAFTZYOPQNYWBGY-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.63
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

1-[2-(5-chloro-2-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96662686
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
ethyl 2-[2-(5-chloro-2-fluorophenyl)ethylamino]acetate
CID 115257506
2-[[2-(5-chloro-2-fluorophenyl)ethylamino]methyl]butanenitrile
CID 115254049
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
CID 110790550
3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 103049675
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
4-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 114862631
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine (CID 82491545) is 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine is CCNCCc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine?
The InChIKey is AFTZYOPQNYWBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-2-13-6-5-8-7-9(11)3-4-10(8)12/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine?
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine has a molecular weight of 201.67 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 82491545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).