2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride

C12H18ClN — CID 173026090

IUPAC2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride
SMILESC=Cc1ccc(C(C)(C)N)c(C)c1.Cl
InChIInChI=1S/C12H17N.ClH/c1-5-10-6-7-11(9(2)8-10)12(3,4)13;/h5-8H,1,13H2,2-4H3;1H
InChIKeyZGFRYBRNPFYIGB-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride

2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride (PubChem CID 173026090) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride
PubChem CID173026090
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride
SMILESC=Cc1ccc(C(C)(C)N)c(C)c1.Cl
InChIInChI=1S/C12H17N.ClH/c1-5-10-6-7-11(9(2)8-10)12(3,4)13;/h5-8H,1,13H2,2-4H3;1H
InChIKeyZGFRYBRNPFYIGB-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethenyl-2-methylphenyl)propan-2-amine
CID 87184185
2-(4-ethenylphenyl)propan-2-amine;hydrochloride
CID 173390988
ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
2-(4-chloro-2-methylphenyl)propan-2-amine
CID 82280968
1,4-bis(ethenyl)-2-methylbenzene;dihydrate
CID 134586695
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
1-(chloromethyl)-4-ethenyl-2-methylbenzene
CID 19883805
4-ethenyl-2-fluoro-1-methylbenzene
CID 20708999
2-(5-ethenyl-2-methylphenyl)ethanamine
CID 130050820
4-ethenyl-2-methylphenol;styrene
CID 158833032
CID 174884210
CID 174884210

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride (CID 173026090) is 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride is C=Cc1ccc(C(C)(C)N)c(C)c1.Cl.
What is the InChIKey of 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride?
The InChIKey is ZGFRYBRNPFYIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-5-10-6-7-11(9(2)8-10)12(3,4)13;/h5-8H,1,13H2,2-4H3;1H.
What are the key properties of 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride?
2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 173026090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).