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

C10H14ClN — CID 17290681

IUPAC(E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCNC/C=C/c1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-11-9-5-8-10-6-3-2-4-7-10;/h2-8,11H,9H2,1H3;1H/b8-5+;
InChIKeyXGJZECMFJCEEJU-HAAWTFQLSA-N
MW183.68 g/mol
LogP2.34
Rot. Bonds3

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

(E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 17290681) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID17290681
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCNC/C=C/c1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-11-9-5-8-10-6-3-2-4-7-10;/h2-8,11H,9H2,1H3;1H/b8-5+;
InChIKeyXGJZECMFJCEEJU-HAAWTFQLSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride (CID 17290681) is (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride is CNC/C=C/c1ccccc1.Cl.
What is the InChIKey of (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is XGJZECMFJCEEJU-HAAWTFQLSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-11-9-5-8-10-6-3-2-4-7-10;/h2-8,11H,9H2,1H3;1H/b8-5+;.
What are the key properties of (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 17290681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).