1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride

C13H18ClN — CID 173414257

IUPAC1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESC=Cc1cccc(CN(C)C)c1C=C.Cl
InChIInChI=1S/C13H17N.ClH/c1-5-11-8-7-9-12(10-14(3)4)13(11)6-2;/h5-9H,1-2,10H2,3-4H3;1H
InChIKeyXSGNPHMQEYYNDK-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.46
Rot. Bonds4

About 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride

1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 173414257) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID173414257
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESC=Cc1cccc(CN(C)C)c1C=C.Cl
InChIInChI=1S/C13H17N.ClH/c1-5-11-8-7-9-12(10-14(3)4)13(11)6-2;/h5-9H,1-2,10H2,3-4H3;1H
InChIKeyXSGNPHMQEYYNDK-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride (CID 173414257) is 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride is C=Cc1cccc(CN(C)C)c1C=C.Cl.
What is the InChIKey of 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is XSGNPHMQEYYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.ClH/c1-5-11-8-7-9-12(10-14(3)4)13(11)6-2;/h5-9H,1-2,10H2,3-4H3;1H.
What are the key properties of 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 223.75 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(ethenyl)phenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 173414257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).