(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine

C12H17NO2 — CID 83350088

IUPAC(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
SMILESCOc1ccc(/C=C/C(C)N)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-9(13)4-5-10-6-7-11(14-2)8-12(10)15-3/h4-9H,13H2,1-3H3/b5-4+
InChIKeyUGWOPJNTUWSFTA-SNAWJCMRSA-N
MW207.27 g/mol
LogP2.06
Rot. Bonds4

About (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine

(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine (PubChem CID 83350088) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
PubChem CID83350088
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
SMILESCOc1ccc(/C=C/C(C)N)c(OC)c1
InChIInChI=1S/C12H17NO2/c1-9(13)4-5-10-6-7-11(14-2)8-12(10)15-3/h4-9H,13H2,1-3H3/b5-4+
InChIKeyUGWOPJNTUWSFTA-SNAWJCMRSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
(E)-2-amino-5-(2,4-dimethoxyphenyl)pent-4-enoic acid
CID 112518794
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8604433
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine?
The IUPAC name of (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine (CID 83350088) is (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine is COc1ccc(/C=C/C(C)N)c(OC)c1.
What is the InChIKey of (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine?
The InChIKey is UGWOPJNTUWSFTA-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13)4-5-10-6-7-11(14-2)8-12(10)15-3/h4-9H,13H2,1-3H3/b5-4+.
What are the key properties of (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine?
(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine has a molecular weight of 207.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine is sourced from PubChem (CID 83350088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).