(E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine

C14H19Cl2N — CID 102472225

IUPAC(E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine
SMILESCC(C)NC(/C=C/c1ccccc1)C(C)(Cl)Cl
InChIInChI=1S/C14H19Cl2N/c1-11(2)17-13(14(3,15)16)10-9-12-7-5-4-6-8-12/h4-11,13,17H,1-3H3/b10-9+
InChIKeyUUJKAFUJYGCFCM-MDZDMXLPSA-N
MW272.22 g/mol
LogP4.26
Rot. Bonds5

About (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine

(E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine (PubChem CID 102472225) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine.

Molecular Properties

Compound Name(E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine
PubChem CID102472225
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name(E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine
SMILESCC(C)NC(/C=C/c1ccccc1)C(C)(Cl)Cl
InChIInChI=1S/C14H19Cl2N/c1-11(2)17-13(14(3,15)16)10-9-12-7-5-4-6-8-12/h4-11,13,17H,1-3H3/b10-9+
InChIKeyUUJKAFUJYGCFCM-MDZDMXLPSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine?
The IUPAC name of (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine (CID 102472225) is (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine.
What is the SMILES notation for (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine?
The canonical SMILES for (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine is CC(C)NC(/C=C/c1ccccc1)C(C)(Cl)Cl.
What is the InChIKey of (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine?
The InChIKey is UUJKAFUJYGCFCM-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-11(2)17-13(14(3,15)16)10-9-12-7-5-4-6-8-12/h4-11,13,17H,1-3H3/b10-9+.
What are the key properties of (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine?
(E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine has a molecular weight of 272.22 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dichloro-1-phenyl-N-propan-2-ylpent-1-en-3-amine is sourced from PubChem (CID 102472225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).