(E)-2-(4-chloro-3-propylphenyl)ethenamine

C11H14ClN — CID 144895169

IUPAC(E)-2-(4-chloro-3-propylphenyl)ethenamine
SMILESCCCc1cc(/C=C/N)ccc1Cl
InChIInChI=1S/C11H14ClN/c1-2-3-10-8-9(6-7-13)4-5-11(10)12/h4-8H,2-3,13H2,1H3/b7-6+
InChIKeyXABBBQCIKCOPEY-VOTSOKGWSA-N
MW195.69 g/mol
LogP3.22
Rot. Bonds3

About (E)-2-(4-chloro-3-propylphenyl)ethenamine

(E)-2-(4-chloro-3-propylphenyl)ethenamine (PubChem CID 144895169) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (E)-2-(4-chloro-3-propylphenyl)ethenamine.

Molecular Properties

Compound Name(E)-2-(4-chloro-3-propylphenyl)ethenamine
PubChem CID144895169
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(E)-2-(4-chloro-3-propylphenyl)ethenamine
SMILESCCCc1cc(/C=C/N)ccc1Cl
InChIInChI=1S/C11H14ClN/c1-2-3-10-8-9(6-7-13)4-5-11(10)12/h4-8H,2-3,13H2,1H3/b7-6+
InChIKeyXABBBQCIKCOPEY-VOTSOKGWSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chloro-3-propylphenyl)ethenamine?
The IUPAC name of (E)-2-(4-chloro-3-propylphenyl)ethenamine (CID 144895169) is (E)-2-(4-chloro-3-propylphenyl)ethenamine.
What is the SMILES notation for (E)-2-(4-chloro-3-propylphenyl)ethenamine?
The canonical SMILES for (E)-2-(4-chloro-3-propylphenyl)ethenamine is CCCc1cc(/C=C/N)ccc1Cl.
What is the InChIKey of (E)-2-(4-chloro-3-propylphenyl)ethenamine?
The InChIKey is XABBBQCIKCOPEY-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-3-10-8-9(6-7-13)4-5-11(10)12/h4-8H,2-3,13H2,1H3/b7-6+.
What are the key properties of (E)-2-(4-chloro-3-propylphenyl)ethenamine?
(E)-2-(4-chloro-3-propylphenyl)ethenamine has a molecular weight of 195.69 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chloro-3-propylphenyl)ethenamine is sourced from PubChem (CID 144895169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).