2-(4-ethenylphenyl)propan-2-amine;hydrochloride

C11H16ClN — CID 173390988

IUPAC2-(4-ethenylphenyl)propan-2-amine;hydrochloride
SMILESC=Cc1ccc(C(C)(C)N)cc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-4-9-5-7-10(8-6-9)11(2,3)12;/h4-8H,1,12H2,2-3H3;1H
InChIKeyBJISZAOELBGVFB-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.95
Rot. Bonds2

About 2-(4-ethenylphenyl)propan-2-amine;hydrochloride

2-(4-ethenylphenyl)propan-2-amine;hydrochloride (PubChem CID 173390988) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-ethenylphenyl)propan-2-amine;hydrochloride
PubChem CID173390988
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-(4-ethenylphenyl)propan-2-amine;hydrochloride
SMILESC=Cc1ccc(C(C)(C)N)cc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-4-9-5-7-10(8-6-9)11(2,3)12;/h4-8H,1,12H2,2-3H3;1H
InChIKeyBJISZAOELBGVFB-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-ethenylbenzene
CID 15627
1-(2-chloropropan-2-yl)-4-ethenylbenzene
CID 19761581
1-(1,1-difluoroethyl)-4-ethenylbenzene
CID 59554717
1-(1,1-dimethoxyethyl)-4-ethenylbenzene
CID 174389278
2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride
CID 173026090
2-(4-ethenyl-2-methylphenyl)propan-2-amine
CID 87184185
1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene
CID 144582721
chloromethane;styrene
CID 122701035
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
CID 174491340
2-(4-fluorophenyl)propan-2-amine
CID 13025665
CID 123503205
CID 123503205
1-ethenyl-4-methylbenzene;methanamine
CID 23466173

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(4-ethenylphenyl)propan-2-amine;hydrochloride (CID 173390988) is 2-(4-ethenylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(4-ethenylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(4-ethenylphenyl)propan-2-amine;hydrochloride is C=Cc1ccc(C(C)(C)N)cc1.Cl.
What is the InChIKey of 2-(4-ethenylphenyl)propan-2-amine;hydrochloride?
The InChIKey is BJISZAOELBGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-4-9-5-7-10(8-6-9)11(2,3)12;/h4-8H,1,12H2,2-3H3;1H.
What are the key properties of 2-(4-ethenylphenyl)propan-2-amine;hydrochloride?
2-(4-ethenylphenyl)propan-2-amine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 173390988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).