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

C14H19ClFN — CID 102621727

IUPAC(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C/Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H19ClFN/c1-2-9-17-10-5-3-4-6-12-11-13(16)7-8-14(12)15/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3/b4-3+
InChIKeyWCUVNQGKHMUVLO-ONEGZZNKSA-N
MW255.76 g/mol
LogP3.97
Rot. Bonds7

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

(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine (PubChem CID 102621727) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine
PubChem CID102621727
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C/Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H19ClFN/c1-2-9-17-10-5-3-4-6-12-11-13(16)7-8-14(12)15/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3/b4-3+
InChIKeyWCUVNQGKHMUVLO-ONEGZZNKSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine?
The IUPAC name of (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine (CID 102621727) is (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine is CCCNCC/C=C/Cc1cc(F)ccc1Cl.
What is the InChIKey of (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine?
The InChIKey is WCUVNQGKHMUVLO-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-9-17-10-5-3-4-6-12-11-13(16)7-8-14(12)15/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3/b4-3+.
What are the key properties of (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine?
(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 102621727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).