(E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine

C16H22FNO — CID 25256205

IUPAC(E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
SMILESNC/C=C/c1cc(F)cc(OCC2CCCCC2)c1
InChIInChI=1S/C16H22FNO/c17-15-9-14(7-4-8-18)10-16(11-15)19-12-13-5-2-1-3-6-13/h4,7,9-11,13H,1-3,5-6,8,12,18H2/b7-4+
InChIKeyRIIVCWSEPWWQJJ-QPJJXVBHSA-N
MW263.36 g/mol
LogP3.76
Rot. Bonds5

About (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine

(E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine (PubChem CID 25256205) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
PubChem CID25256205
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
SMILESNC/C=C/c1cc(F)cc(OCC2CCCCC2)c1
InChIInChI=1S/C16H22FNO/c17-15-9-14(7-4-8-18)10-16(11-15)19-12-13-5-2-1-3-6-13/h4,7,9-11,13H,1-3,5-6,8,12,18H2/b7-4+
InChIKeyRIIVCWSEPWWQJJ-QPJJXVBHSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine (CID 25256205) is (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine is NC/C=C/c1cc(F)cc(OCC2CCCCC2)c1.
What is the InChIKey of (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine?
The InChIKey is RIIVCWSEPWWQJJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-9-14(7-4-8-18)10-16(11-15)19-12-13-5-2-1-3-6-13/h4,7,9-11,13H,1-3,5-6,8,12,18H2/b7-4+.
What are the key properties of (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine?
(E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(cyclohexylmethoxy)-5-fluorophenyl]prop-2-en-1-amine is sourced from PubChem (CID 25256205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).