1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine

C9H11ClFNO — CID 114842561

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine
SMILESCCONCc1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFNO/c1-2-13-12-6-7-3-4-8(10)5-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyOBVYFZWLEUCVJY-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.52
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine

1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine (PubChem CID 114842561) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine
PubChem CID114842561
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine
SMILESCCONCc1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFNO/c1-2-13-12-6-7-3-4-8(10)5-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyOBVYFZWLEUCVJY-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorobenzylamine
CID 66036
(4-Chloro-2-fluorophenyl)methanamine hydrochloride
CID 2724909
(4-Chlorophenyl)methylazanium
CID 5247069
1-(4-Chlorophenyl)-N-methoxypropan-2-amine--hydrogen chloride (1/1)
CID 24841286
4-Chloro-2-fluorobenzylamine
CID 2724910
(4-Chloro-3-fluorophenyl)methanamine
CID 2757541
1-(4-Chloro-3-fluorophenyl)ethan-1-amine
CID 21934771
4-Chloro-2-fluoro-N-methylbenzenemethanamine
CID 43163683
1-(4-Chloro-2-fluoro-phenyl)-ethylamine hydrochloride
CID 69246617
(R)-1-(4-Chloro-2-fluorophenyl)ethan-1-amine hydrochloride
CID 137544649
Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine (CID 114842561) is 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine is CCONCc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine?
The InChIKey is OBVYFZWLEUCVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-2-13-12-6-7-3-4-8(10)5-9(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine?
1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine has a molecular weight of 203.64 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-ethoxymethanamine is sourced from PubChem (CID 114842561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).