3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine

C11H14FNO — CID 169463810

IUPAC3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
SMILESCCOc1ccc(C=CCN)c(F)c1
InChIInChI=1S/C11H14FNO/c1-2-14-10-6-5-9(4-3-7-13)11(12)8-10/h3-6,8H,2,7,13H2,1H3
InChIKeyWWRZLQYRPYXDGX-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.20
Rot. Bonds4

About 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine

3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine (PubChem CID 169463810) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
PubChem CID169463810
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
SMILESCCOc1ccc(C=CCN)c(F)c1
InChIInChI=1S/C11H14FNO/c1-2-14-10-6-5-9(4-3-7-13)11(12)8-10/h3-6,8H,2,7,13H2,1H3
InChIKeyWWRZLQYRPYXDGX-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine 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

4-(4-ethoxy-2-fluorophenyl)but-3-ene-1-thiol
CID 170478614
4-(4-ethoxy-2-fluorophenyl)but-3-enenitrile
CID 170799973
(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
CID 117295921
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
CID 117294018
2-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]quinolin-8-ol
CID 141481161
4-[2-fluoro-4-(methoxymethoxy)phenyl]but-3-enoic acid
CID 170484049
6-ethoxy-3-fluoroquinoline
CID 90101959
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711
(E)-3-(2,4-difluoro-5-propan-2-ylphenyl)prop-2-en-1-amine
CID 117301557
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 169464324
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine (CID 169463810) is 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine is CCOc1ccc(C=CCN)c(F)c1.
What is the InChIKey of 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine?
The InChIKey is WWRZLQYRPYXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-14-10-6-5-9(4-3-7-13)11(12)8-10/h3-6,8H,2,7,13H2,1H3.
What are the key properties of 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine?
3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 169463810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).