N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine

C11H16FNO2 — CID 11615438

IUPACN-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1ccc(F)cc1)OC
InChIInChI=1S/C11H16FNO2/c1-14-11(15-2)8-13-7-9-3-5-10(12)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyHKLYXRIMOHSPQP-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.53
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine

N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine (PubChem CID 11615438) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine
PubChem CID11615438
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1ccc(F)cc1)OC
InChIInChI=1S/C11H16FNO2/c1-14-11(15-2)8-13-7-9-3-5-10(12)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyHKLYXRIMOHSPQP-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine (CID 11615438) is N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine is COC(CNCc1ccc(F)cc1)OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine?
The InChIKey is HKLYXRIMOHSPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-11(15-2)8-13-7-9-3-5-10(12)6-4-9/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine?
N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine has a molecular weight of 213.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 11615438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).