(E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine

C17H23ClFN — CID 114455135

IUPAC(E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
SMILESCCNC/C(=C/c1cc(F)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H23ClFN/c1-2-20-12-15(14-6-4-3-5-7-14)8-13-9-16(18)11-17(19)10-13/h8-11,14,20H,2-7,12H2,1H3/b15-8-
InChIKeyRTTQRMMNYBQUJG-NVNXTCNLSA-N
MW295.83 g/mol
LogP5.05
Rot. Bonds5

About (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine

(E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine (PubChem CID 114455135) has the molecular formula C17H23ClFN and a molecular weight of 295.83 g/mol. Its IUPAC name is (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
PubChem CID114455135
Molecular FormulaC17H23ClFN
Molecular Weight295.83 g/mol
Exact Mass295.15
IUPAC Name(E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
SMILESCCNC/C(=C/c1cc(F)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H23ClFN/c1-2-20-12-15(14-6-4-3-5-7-14)8-13-9-16(18)11-17(19)10-13/h8-11,14,20H,2-7,12H2,1H3/b15-8-
InChIKeyRTTQRMMNYBQUJG-NVNXTCNLSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine (CID 114455135) is (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine is CCNC/C(=C/c1cc(F)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine?
The InChIKey is RTTQRMMNYBQUJG-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H23ClFN/c1-2-20-12-15(14-6-4-3-5-7-14)8-13-9-16(18)11-17(19)10-13/h8-11,14,20H,2-7,12H2,1H3/b15-8-.
What are the key properties of (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine?
(E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine has a molecular weight of 295.83 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-5-fluorophenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 114455135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).