N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine

C14H19ClFNO2 — CID 114489396

IUPACN-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1c1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO2/c1-18-8-6-17-9-10-5-7-19-14(10)11-3-2-4-12(15)13(11)16/h2-4,10,14,17H,5-9H2,1H3
InChIKeyQIMKWCKAOOCWIL-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.79
Rot. Bonds6

About N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine

N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 114489396) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID114489396
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC NameN-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1c1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO2/c1-18-8-6-17-9-10-5-7-19-14(10)11-3-2-4-12(15)13(11)16/h2-4,10,14,17H,5-9H2,1H3
InChIKeyQIMKWCKAOOCWIL-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine (CID 114489396) is N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCOC1c1cccc(Cl)c1F.
What is the InChIKey of N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is QIMKWCKAOOCWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-18-8-6-17-9-10-5-7-19-14(10)11-3-2-4-12(15)13(11)16/h2-4,10,14,17H,5-9H2,1H3.
What are the key properties of N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 287.76 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114489396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).