2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine

C11H14FNO — CID 103066700

IUPAC2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-9(7-13-2)8-14-11-5-3-4-10(12)6-11/h3-6,13H,1,7-8H2,2H3
InChIKeyZBDAESKZSYPUEX-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.98
Rot. Bonds5

About 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine

2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine (PubChem CID 103066700) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
PubChem CID103066700
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-9(7-13-2)8-14-11-5-3-4-10(12)6-11/h3-6,13H,1,7-8H2,2H3
InChIKeyZBDAESKZSYPUEX-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066426
3-[2-(methylaminomethyl)prop-2-enoxy]benzonitrile
CID 103066368
2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103066721
N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
CID 115594649
1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
CID 145145083
4-(3-fluorophenoxy)-N-methylbut-2-en-1-amine
CID 171158074
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene
CID 106440271
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol
CID 107709367

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine (CID 103066700) is 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine is C=C(CNC)COc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is ZBDAESKZSYPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-9(7-13-2)8-14-11-5-3-4-10(12)6-11/h3-6,13H,1,7-8H2,2H3.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine?
2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103066700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).