1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine

C10H13ClFNO2 — CID 112652212

IUPAC1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cccc(F)c1Cl
InChIInChI=1S/C10H13ClFNO2/c1-14-5-6-15-13-7-8-3-2-4-9(12)10(8)11/h2-4,13H,5-7H2,1H3
InChIKeyJVOHUWPAYDYLKO-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.15
Rot. Bonds6

About 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine

1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine (PubChem CID 112652212) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
PubChem CID112652212
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cccc(F)c1Cl
InChIInChI=1S/C10H13ClFNO2/c1-14-5-6-15-13-7-8-3-2-4-9(12)10(8)11/h2-4,13H,5-7H2,1H3
InChIKeyJVOHUWPAYDYLKO-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

1-(2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82712660
N'-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410553
1-(2-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112652213
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
N-(2-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
1-(2-chloro-3-fluorophenyl)-3-(2-methoxyethoxy)propan-2-amine
CID 114032967
N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 82714629
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
CID 112652223
N-[(2-chloro-3-fluorophenyl)methyl]-3-propoxypropan-1-amine
CID 112652222
1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82711940
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715760

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine (CID 112652212) is 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine is COCCONCc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The InChIKey is JVOHUWPAYDYLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-14-5-6-15-13-7-8-3-2-4-9(12)10(8)11/h2-4,13H,5-7H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
1-(2-chloro-3-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-(2-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 112652212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).