2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine

C12H16FNO — CID 66982957

IUPAC2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
SMILESCCOc1cccc(CC(=CF)CN)c1
InChIInChI=1S/C12H16FNO/c1-2-15-12-5-3-4-10(7-12)6-11(8-13)9-14/h3-5,7-8H,2,6,9,14H2,1H3
InChIKeyZFFVEKVKGZHMDE-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.44
Rot. Bonds5

About 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine

2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 66982957) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
PubChem CID66982957
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine
SMILESCCOc1cccc(CC(=CF)CN)c1
InChIInChI=1S/C12H16FNO/c1-2-15-12-5-3-4-10(7-12)6-11(8-13)9-14/h3-5,7-8H,2,6,9,14H2,1H3
InChIKeyZFFVEKVKGZHMDE-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-[(3-fluorophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983127
2-(3-ethoxyphenyl)acetyl chloride
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CID 4114058
(3-ethoxyphenyl)methanethiol
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1-amino-4-(3-ethoxyphenyl)butan-2-ol
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2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353229
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
1-ethoxy-4-[3-fluoro-4-(3-phenoxyphenyl)but-2-enyl]benzene
CID 174366645
(3-ethoxyphenyl)methyl-trimethylazanium
CID 23274216
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
(Z)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 25013780

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine (CID 66982957) is 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine is CCOc1cccc(CC(=CF)CN)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is ZFFVEKVKGZHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-15-12-5-3-4-10(7-12)6-11(8-13)9-14/h3-5,7-8H,2,6,9,14H2,1H3.
What are the key properties of 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine?
2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 66982957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).