2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine

C15H21N — CID 138667961

IUPAC2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine
SMILESC=C(C)c1ccc(C(=C)NCC(C)C)cc1
InChIInChI=1S/C15H21N/c1-11(2)10-16-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11,16H,3,5,10H2,1-2,4H3
InChIKeyGFDONHUILIFPLU-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.94
Rot. Bonds5

About 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine

2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine (PubChem CID 138667961) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine
PubChem CID138667961
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine
SMILESC=C(C)c1ccc(C(=C)NCC(C)C)cc1
InChIInChI=1S/C15H21N/c1-11(2)10-16-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11,16H,3,5,10H2,1-2,4H3
InChIKeyGFDONHUILIFPLU-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine (CID 138667961) is 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine is C=C(C)c1ccc(C(=C)NCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine?
The InChIKey is GFDONHUILIFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)10-16-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11,16H,3,5,10H2,1-2,4H3.
What are the key properties of 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine?
2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine is sourced from PubChem (CID 138667961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).