1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride

C12H17Cl2NO — CID 86666923

IUPAC1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
SMILESC=Cc1c(C)c(Cl)cc(C(C)N)c1OC.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-5-9-7(2)11(13)6-10(8(3)14)12(9)15-4;/h5-6,8H,1,14H2,2-4H3;1H
InChIKeyUJAIFVSAWUNCHB-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.74
Rot. Bonds3

About 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride

1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride (PubChem CID 86666923) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
PubChem CID86666923
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
SMILESC=Cc1c(C)c(Cl)cc(C(C)N)c1OC.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-5-9-7(2)11(13)6-10(8(3)14)12(9)15-4;/h5-6,8H,1,14H2,2-4H3;1H
InChIKeyUJAIFVSAWUNCHB-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride (CID 86666923) is 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride is C=Cc1c(C)c(Cl)cc(C(C)N)c1OC.Cl.
What is the InChIKey of 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
The InChIKey is UJAIFVSAWUNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-5-9-7(2)11(13)6-10(8(3)14)12(9)15-4;/h5-6,8H,1,14H2,2-4H3;1H.
What are the key properties of 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride?
1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 86666923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).