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

C17H20ClN — CID 54603104

IUPAC(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C/C=C\c1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H19N.ClH/c1-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16;/h2-13H,14-15H2,1H3;1H/b13-8-;
InChIKeyXBVBDFIGSMXKIN-MGAWDJABSA-N
MW273.81 g/mol
LogP4.25
Rot. Bonds5

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

(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 54603104) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID54603104
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C/C=C\c1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H19N.ClH/c1-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16;/h2-13H,14-15H2,1H3;1H/b13-8-;
InChIKeyXBVBDFIGSMXKIN-MGAWDJABSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 18509453
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine
CID 176731852
(E)-N-benzyl-N-methyl-3-(2-nitrophenyl)prop-2-en-1-amine
CID 782786
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
CID 14697965
(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 127048961
2-[[methyl-[(E)-3-phenylprop-2-enyl]amino]methyl]xanthen-9-one
CID 10760673
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
1,2-dimethyl-1-[(E)-3-phenylprop-2-enyl]hydrazine
CID 137382786
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride (CID 54603104) is (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride is CN(C/C=C\c1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is XBVBDFIGSMXKIN-MGAWDJABSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16;/h2-13H,14-15H2,1H3;1H/b13-8-;.
What are the key properties of (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride?
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 54603104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).