2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine

C14H19N — CID 163774691

IUPAC2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine
SMILESC=C(C)c1ccc(CCN)cc1C(=C)C
InChIInChI=1S/C14H19N/c1-10(2)13-6-5-12(7-8-15)9-14(13)11(3)4/h5-6,9H,1,3,7-8,15H2,2,4H3
InChIKeyMJJOYKDUYRDFLT-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.25
Rot. Bonds4

About 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine

2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine (PubChem CID 163774691) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine
PubChem CID163774691
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine
SMILESC=C(C)c1ccc(CCN)cc1C(=C)C
InChIInChI=1S/C14H19N/c1-10(2)13-6-5-12(7-8-15)9-14(13)11(3)4/h5-6,9H,1,3,7-8,15H2,2,4H3
InChIKeyMJJOYKDUYRDFLT-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine (CID 163774691) is 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine is C=C(C)c1ccc(CCN)cc1C(=C)C.
What is the InChIKey of 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine?
The InChIKey is MJJOYKDUYRDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10(2)13-6-5-12(7-8-15)9-14(13)11(3)4/h5-6,9H,1,3,7-8,15H2,2,4H3.
What are the key properties of 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine?
2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine has a molecular weight of 201.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine is sourced from PubChem (CID 163774691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).