(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine

C14H19ClFN — CID 112654998

IUPAC(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCC/C=C(/C)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFN/c1-3-17-9-5-6-11(2)10-12-7-4-8-13(16)14(12)15/h4,6-8,17H,3,5,9-10H2,1-2H3/b11-6-
InChIKeyVKTWYPDJFDRUAT-WDZFZDKYSA-N
MW255.76 g/mol
LogP3.97
Rot. Bonds6

About (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine

(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine (PubChem CID 112654998) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
PubChem CID112654998
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCC/C=C(/C)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFN/c1-3-17-9-5-6-11(2)10-12-7-4-8-13(16)14(12)15/h4,6-8,17H,3,5,9-10H2,1-2H3/b11-6-
InChIKeyVKTWYPDJFDRUAT-WDZFZDKYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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 (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The IUPAC name of (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine (CID 112654998) is (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine is CCNCC/C=C(/C)Cc1cccc(F)c1Cl.
What is the InChIKey of (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The InChIKey is VKTWYPDJFDRUAT-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-3-17-9-5-6-11(2)10-12-7-4-8-13(16)14(12)15/h4,6-8,17H,3,5,9-10H2,1-2H3/b11-6-.
What are the key properties of (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 112654998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).