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

C12H17N — CID 87184185

IUPAC2-(4-ethenyl-2-methylphenyl)propan-2-amine
SMILESC=Cc1ccc(C(C)(C)N)c(C)c1
InChIInChI=1S/C12H17N/c1-5-10-6-7-11(9(2)8-10)12(3,4)13/h5-8H,1,13H2,2-4H3
InChIKeyAHMRMXWYPARJKC-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.83
Rot. Bonds2

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

2-(4-ethenyl-2-methylphenyl)propan-2-amine (PubChem CID 87184185) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(4-ethenyl-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-ethenyl-2-methylphenyl)propan-2-amine
PubChem CID87184185
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-(4-ethenyl-2-methylphenyl)propan-2-amine
SMILESC=Cc1ccc(C(C)(C)N)c(C)c1
InChIInChI=1S/C12H17N/c1-5-10-6-7-11(9(2)8-10)12(3,4)13/h5-8H,1,13H2,2-4H3
InChIKeyAHMRMXWYPARJKC-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethenyl-2-methylphenyl)propan-2-amine;hydrochloride
CID 173026090
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
2-(4-ethenylphenyl)propan-2-amine;hydrochloride
CID 173390988
1,4-bis(ethenyl)-2-methylbenzene;dihydrate
CID 134586695
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
1-tert-butyl-4-ethenylbenzene
CID 15627

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-methylphenyl)propan-2-amine?
The IUPAC name of 2-(4-ethenyl-2-methylphenyl)propan-2-amine (CID 87184185) is 2-(4-ethenyl-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(4-ethenyl-2-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(4-ethenyl-2-methylphenyl)propan-2-amine is C=Cc1ccc(C(C)(C)N)c(C)c1.
What is the InChIKey of 2-(4-ethenyl-2-methylphenyl)propan-2-amine?
The InChIKey is AHMRMXWYPARJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-5-10-6-7-11(9(2)8-10)12(3,4)13/h5-8H,1,13H2,2-4H3.
What are the key properties of 2-(4-ethenyl-2-methylphenyl)propan-2-amine?
2-(4-ethenyl-2-methylphenyl)propan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 2.83, 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 is sourced from PubChem (CID 87184185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).