2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine

C12H15NO2 — CID 19894370

IUPAC2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine
SMILESC=C=C(CN)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H15NO2/c1-4-9(8-13)10-5-11(14-2)7-12(6-10)15-3/h5-7H,1,8,13H2,2-3H3
InChIKeyRZUWCAMMFUTRIB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.83
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine

2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine (PubChem CID 19894370) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine
PubChem CID19894370
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine
SMILESC=C=C(CN)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H15NO2/c1-4-9(8-13)10-5-11(14-2)7-12(6-10)15-3/h5-7H,1,8,13H2,2-3H3
InChIKeyRZUWCAMMFUTRIB-UHFFFAOYSA-N
XLogP1.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067007
3-(3,5-dimethoxyphenyl)but-2-en-1-ol
CID 54436629
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
CID 83720839
1,3,5-trimethoxybenzene;urea
CID 174919725
2-(3,5-dimethoxyphenoxy)butanenitrile
CID 55207727
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile
CID 94842584
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine (CID 19894370) is 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine is C=C=C(CN)c1cc(OC)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine?
The InChIKey is RZUWCAMMFUTRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-9(8-13)10-5-11(14-2)7-12(6-10)15-3/h5-7H,1,8,13H2,2-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine?
2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine has a molecular weight of 205.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine is sourced from PubChem (CID 19894370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).