1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine

C11H13ClFNO — CID 107695216

IUPAC1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESC=C(Cl)COc1ccc(F)cc1CNC
InChIInChI=1S/C11H13ClFNO/c1-8(12)7-15-11-4-3-10(13)5-9(11)6-14-2/h3-5,14H,1,6-7H2,2H3
InChIKeyVYONRENBPGZGAM-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine

1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 107695216) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID107695216
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESC=C(Cl)COc1ccc(F)cc1CNC
InChIInChI=1S/C11H13ClFNO/c1-8(12)7-15-11-4-3-10(13)5-9(11)6-14-2/h3-5,14H,1,6-7H2,2H3
InChIKeyVYONRENBPGZGAM-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine
CID 107694806
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
1-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 107695107
1-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107695379
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
1-[2-(2-chloroprop-2-enoxy)-4-fluorophenyl]ethanone
CID 63067319
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062322

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine (CID 107695216) is 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine is C=C(Cl)COc1ccc(F)cc1CNC.
What is the InChIKey of 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is VYONRENBPGZGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-8(12)7-15-11-4-3-10(13)5-9(11)6-14-2/h3-5,14H,1,6-7H2,2H3.
What are the key properties of 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 229.68 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107695216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).