(E)-3-phenylprop-2-en-1-amine;hydrochloride

C9H12ClN — CID 6444486

IUPAC(E)-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCl.NC/C=C/c1ccccc1
InChIInChI=1S/C9H11N.ClH/c10-8-4-7-9-5-2-1-3-6-9;/h1-7H,8,10H2;1H/b7-4+;
InChIKeyRHJVYCBQGSIGEG-KQGICBIGSA-N
MW169.65 g/mol
LogP2.08
Rot. Bonds2

About (E)-3-phenylprop-2-en-1-amine;hydrochloride

(E)-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 6444486) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is (E)-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID6444486
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name(E)-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCl.NC/C=C/c1ccccc1
InChIInChI=1S/C9H11N.ClH/c10-8-4-7-9-5-2-1-3-6-9;/h1-7H,8,10H2;1H/b7-4+;
InChIKeyRHJVYCBQGSIGEG-KQGICBIGSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-3-phenylprop-2-en-1-amine;hydrochloride (CID 6444486) is (E)-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-3-phenylprop-2-en-1-amine;hydrochloride is Cl.NC/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is RHJVYCBQGSIGEG-KQGICBIGSA-N. The full InChI is InChI=1S/C9H11N.ClH/c10-8-4-7-9-5-2-1-3-6-9;/h1-7H,8,10H2;1H/b7-4+;.
What are the key properties of (E)-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 169.65 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 6444486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).