1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine

C10H13ClFNO2 — CID 114842569

IUPAC1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO2/c1-14-4-5-15-13-7-8-2-3-9(11)6-10(8)12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyNGRCNPADTPPARG-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.15
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine

1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine (PubChem CID 114842569) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
PubChem CID114842569
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO2/c1-14-4-5-15-13-7-8-2-3-9(11)6-10(8)12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyNGRCNPADTPPARG-UHFFFAOYSA-N
XLogP2.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(2-Chlorophenyl)methyl](methoxy)amine hydrochloride
CID 119031737
N-[(4-chlorophenyl)methyl]hydroxylamine
CID 12385756
[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
n-(3-Chloro-4-fluoro-benzyl)-o-methyl-hydroxylamine
CID 12146882
[(2-Chlorophenyl)methyl](methoxy)amine
CID 13192618
n-(2-Chloro-4-fluoro-benzyl)-o-methyl-hydroxylamine
CID 22485666
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
n-[(4-Chloro-3-fluorophenyl)methyl]hydroxylamine
CID 82686791
1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine
CID 90019297
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
1-(4-chlorophenyl)-2,2-difluoro-N-methoxyethanamine
CID 50995497

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine (CID 114842569) is 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine is COCCONCc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The InChIKey is NGRCNPADTPPARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-14-4-5-15-13-7-8-2-3-9(11)6-10(8)12/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine has a molecular weight of 233.67 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 114842569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).