(E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine

C12H13Cl2N — CID 19001912

IUPAC(E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNC/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2N/c1-2-5-15-6-3-4-10-7-11(13)9-12(14)8-10/h2-4,7-9,15H,1,5-6H2/b4-3+
InChIKeyNKQJTVXMIMVLGX-ONEGZZNKSA-N
MW242.15 g/mol
LogP3.78
Rot. Bonds5

About (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine

(E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 19001912) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID19001912
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name(E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNC/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2N/c1-2-5-15-6-3-4-10-7-11(13)9-12(14)8-10/h2-4,7-9,15H,1,5-6H2/b4-3+
InChIKeyNKQJTVXMIMVLGX-ONEGZZNKSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 53.78
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)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine (CID 19001912) is (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine is C=CCNC/C=C/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is NKQJTVXMIMVLGX-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H13Cl2N/c1-2-5-15-6-3-4-10-7-11(13)9-12(14)8-10/h2-4,7-9,15H,1,5-6H2/b4-3+.
What are the key properties of (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine?
(E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 242.15 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichlorophenyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 19001912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).