dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride

C22H24ClN — CID 73385961

IUPACdimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
SMILESC[N+](C)(CC=Cc1ccccc1)Cc1cccc2ccccc12.[Cl-]
InChIInChI=1S/C22H24N.ClH/c1-23(2,17-9-12-19-10-4-3-5-11-19)18-21-15-8-14-20-13-6-7-16-22(20)21;/h3-16H,17-18H2,1-2H3;1H/q+1;/p-1
InChIKeyXKWWPJJDAAKIBT-UHFFFAOYSA-M
MW337.89 g/mol
LogP2.13
Rot. Bonds5

About dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride

dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride (PubChem CID 73385961) has the molecular formula C22H24ClN and a molecular weight of 337.89 g/mol. Its IUPAC name is dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
PubChem CID73385961
Molecular FormulaC22H24ClN
Molecular Weight337.89 g/mol
Exact Mass337.16
IUPAC Namedimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
SMILESC[N+](C)(CC=Cc1ccccc1)Cc1cccc2ccccc12.[Cl-]
InChIInChI=1S/C22H24N.ClH/c1-23(2,17-9-12-19-10-4-3-5-11-19)18-21-15-8-14-20-13-6-7-16-22(20)21;/h3-16H,17-18H2,1-2H3;1H/q+1;/p-1
InChIKeyXKWWPJJDAAKIBT-UHFFFAOYSA-M
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene
CID 177449043
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
2-bromoethyl-dimethyl-(3-phenylprop-2-enyl)azanium
CID 4162929
2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium
CID 57155174
1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
CID 142146166
(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 12912976
2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium
CID 101160835
1-methylnaphthalene;stilbene
CID 173370087
dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide
CID 88833984
N-(naphthalen-1-ylmethyl)-N-[(E)-4-phenylbut-3-enyl]-1,2,4-triazol-4-amine
CID 44579447
benzyl-dimethyl-prop-2-enylazanium;1-prop-2-enylnaphthalene;pyridine;chloride;hydrochloride
CID 173159804

Frequently Asked Questions

What is the IUPAC name of dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride?
The IUPAC name of dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride (CID 73385961) is dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride.
What is the SMILES notation for dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride?
The canonical SMILES for dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride is C[N+](C)(CC=Cc1ccccc1)Cc1cccc2ccccc12.[Cl-].
What is the InChIKey of dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride?
The InChIKey is XKWWPJJDAAKIBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24N.ClH/c1-23(2,17-9-12-19-10-4-3-5-11-19)18-21-15-8-14-20-13-6-7-16-22(20)21;/h3-16H,17-18H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride?
dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride has a molecular weight of 337.89 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride is sourced from PubChem (CID 73385961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).