2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine

C12H15NO — CID 19894373

IUPAC2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine
SMILESC=C=C(CN)Cc1ccc(OC)cc1
InChIInChI=1S/C12H15NO/c1-3-10(9-13)8-11-4-6-12(14-2)7-5-11/h4-7H,1,8-9,13H2,2H3
InChIKeyMONNGUVGDBQWIZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.91
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine

2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine (PubChem CID 19894373) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine
PubChem CID19894373
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine
SMILESC=C=C(CN)Cc1ccc(OC)cc1
InChIInChI=1S/C12H15NO/c1-3-10(9-13)8-11-4-6-12(14-2)7-5-11/h4-7H,1,8-9,13H2,2H3
InChIKeyMONNGUVGDBQWIZ-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine (CID 19894373) is 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine is C=C=C(CN)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine?
The InChIKey is MONNGUVGDBQWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-10(9-13)8-11-4-6-12(14-2)7-5-11/h4-7H,1,8-9,13H2,2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine?
2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]buta-2,3-dien-1-amine is sourced from PubChem (CID 19894373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).