[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine

C16H16FNO — CID 107686405

IUPAC[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
SMILESNCc1ccc(OC/C=C/c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FNO/c17-15-11-14(12-18)8-9-16(15)19-10-4-7-13-5-2-1-3-6-13/h1-9,11H,10,12,18H2/b7-4+
InChIKeyNMNUDHSLZJCJSH-QPJJXVBHSA-N
MW257.31 g/mol
LogP3.38
Rot. Bonds5

About [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine

[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine (PubChem CID 107686405) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
PubChem CID107686405
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
SMILESNCc1ccc(OC/C=C/c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FNO/c17-15-11-14(12-18)8-9-16(15)19-10-4-7-13-5-2-1-3-6-13/h1-9,11H,10,12,18H2/b7-4+
InChIKeyNMNUDHSLZJCJSH-QPJJXVBHSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(E)-3-phenylprop-2-enoxy]benzonitrile
CID 43657498
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
CID 107686254
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016973
2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 60904917
4-fluoro-2-nitroso-1-[(Z)-3-phenylprop-2-enoxy]benzene
CID 89128134
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[6-methyl-4-[(E)-3-phenylprop-2-enoxy]-3-pyridinyl]methanamine
CID 81253217

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine (CID 107686405) is [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine is NCc1ccc(OC/C=C/c2ccccc2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine?
The InChIKey is NMNUDHSLZJCJSH-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-11-14(12-18)8-9-16(15)19-10-4-7-13-5-2-1-3-6-13/h1-9,11H,10,12,18H2/b7-4+.
What are the key properties of [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine?
[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine has a molecular weight of 257.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine is sourced from PubChem (CID 107686405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).