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

C11H16ClN — CID 6506587

IUPAC(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C/c1ccccc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-12(2)10-6-9-11-7-4-3-5-8-11;/h3-9H,10H2,1-2H3;1H/b9-6+;
InChIKeyAOHWTKAZWYSYBL-MLBSPLJJSA-N
MW197.71 g/mol
LogP2.68
Rot. Bonds3

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

(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 6506587) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID6506587
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C/c1ccccc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-12(2)10-6-9-11-7-4-3-5-8-11;/h3-9H,10H2,1-2H3;1H/b9-6+;
InChIKeyAOHWTKAZWYSYBL-MLBSPLJJSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride (CID 6506587) is (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride is CN(C)C/C=C/c1ccccc1.Cl.
What is the InChIKey of (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is AOHWTKAZWYSYBL-MLBSPLJJSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-12(2)10-6-9-11-7-4-3-5-8-11;/h3-9H,10H2,1-2H3;1H/b9-6+;.
What are the key properties of (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 6506587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).