N-benzyl-2-methoxyethanamine;fluoromethane

C11H18FNO — CID 176962791

IUPACN-benzyl-2-methoxyethanamine;fluoromethane
SMILESCF.COCCNCc1ccccc1
InChIInChI=1S/C10H15NO.CH3F/c1-12-8-7-11-9-10-5-3-2-4-6-10;1-2/h2-6,11H,7-9H2,1H3;1H3
InChIKeyPLYBTRQBEPWFAB-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.01
Rot. Bonds5

About N-benzyl-2-methoxyethanamine;fluoromethane

N-benzyl-2-methoxyethanamine;fluoromethane (PubChem CID 176962791) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is N-benzyl-2-methoxyethanamine;fluoromethane.

Molecular Properties

Compound NameN-benzyl-2-methoxyethanamine;fluoromethane
PubChem CID176962791
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC NameN-benzyl-2-methoxyethanamine;fluoromethane
SMILESCF.COCCNCc1ccccc1
InChIInChI=1S/C10H15NO.CH3F/c1-12-8-7-11-9-10-5-3-2-4-6-10;1-2/h2-6,11H,7-9H2,1H3;1H3
InChIKeyPLYBTRQBEPWFAB-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxyethanamine;fluoromethane?
The IUPAC name of N-benzyl-2-methoxyethanamine;fluoromethane (CID 176962791) is N-benzyl-2-methoxyethanamine;fluoromethane.
What is the SMILES notation for N-benzyl-2-methoxyethanamine;fluoromethane?
The canonical SMILES for N-benzyl-2-methoxyethanamine;fluoromethane is CF.COCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxyethanamine;fluoromethane?
The InChIKey is PLYBTRQBEPWFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.CH3F/c1-12-8-7-11-9-10-5-3-2-4-6-10;1-2/h2-6,11H,7-9H2,1H3;1H3.
What are the key properties of N-benzyl-2-methoxyethanamine;fluoromethane?
N-benzyl-2-methoxyethanamine;fluoromethane has a molecular weight of 199.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxyethanamine;fluoromethane is sourced from PubChem (CID 176962791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).