1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine

C9H11ClFNO — CID 60702242

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine
SMILESCCONCc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFNO/c1-2-13-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyWDQYAGVQDRIXTO-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.52
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine

1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine (PubChem CID 60702242) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine
PubChem CID60702242
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine
SMILESCCONCc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFNO/c1-2-13-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyWDQYAGVQDRIXTO-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

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
(2-chloro-6-fluorophenyl)methyl-triethoxysilane
CID 146004919
N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656308
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294849
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024044
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine (CID 60702242) is 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine is CCONCc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine?
The InChIKey is WDQYAGVQDRIXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-2-13-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine?
1-(2-chloro-6-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-(2-chloro-6-fluorophenyl)-N-ethoxymethanamine is sourced from PubChem (CID 60702242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).