3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine

C13H18ClNO2 — CID 79341614

IUPAC3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C13H18ClNO2/c1-9(8-15-2)5-10-6-11(14)13(17-4)12(7-10)16-3/h5-7,15H,8H2,1-4H3
InChIKeyYDLIIQMVRGDLMK-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.98
Rot. Bonds5

About 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine

3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79341614) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79341614
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C13H18ClNO2/c1-9(8-15-2)5-10-6-11(14)13(17-4)12(7-10)16-3/h5-7,15H,8H2,1-4H3
InChIKeyYDLIIQMVRGDLMK-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344068
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873206
(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093259
2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-3-methylbutan-1-ol
CID 79335570
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79344316
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,2-dimethylprop-2-en-1-amine
CID 79340671
(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine
CID 142155659
2-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylidene]propanedial;1,2-dimethylhydrazine
CID 142803505
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 2414113
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231
ethyl (Z)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoate
CID 74766485

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine (CID 79341614) is 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine is CNCC(C)=Cc1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is YDLIIQMVRGDLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(8-15-2)5-10-6-11(14)13(17-4)12(7-10)16-3/h5-7,15H,8H2,1-4H3.
What are the key properties of 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 255.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79341614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).