(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine

C13H17FN2O — CID 115111111

IUPAC(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C13H17FN2O/c14-12-4-3-11(2-1-5-15)13(10-12)16-6-8-17-9-7-16/h1-4,10H,5-9,15H2/b2-1+
InChIKeyGDJDUJQTNRQLAV-OWOJBTEDSA-N
MW236.29 g/mol
LogP1.63
Rot. Bonds3

About (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine

(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine (PubChem CID 115111111) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine
PubChem CID115111111
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C13H17FN2O/c14-12-4-3-11(2-1-5-15)13(10-12)16-6-8-17-9-7-16/h1-4,10H,5-9,15H2/b2-1+
InChIKeyGDJDUJQTNRQLAV-OWOJBTEDSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 169464674
2-(5-fluoro-2-morpholin-4-ylphenyl)ethanamine
CID 63784729
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
CID 117111920
(E)-3-(2-methoxy-5-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 117374281
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
N-methyl-3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 169474776
2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile
CID 115110993
(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
CID 117291108
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 111824467
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]cyclopropan-1-amine
CID 117379377
3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
CID 117107597

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine (CID 115111111) is (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine is NC/C=C/c1ccc(F)cc1N1CCOCC1.
What is the InChIKey of (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine?
The InChIKey is GDJDUJQTNRQLAV-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-4-3-11(2-1-5-15)13(10-12)16-6-8-17-9-7-16/h1-4,10H,5-9,15H2/b2-1+.
What are the key properties of (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine?
(E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine has a molecular weight of 236.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluoro-2-morpholin-4-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 115111111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).