3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine

C16H25NO2 — CID 79341431

IUPAC3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1ccc(OC)c(OCC)c1
InChIInChI=1S/C16H25NO2/c1-5-9-17-12-13(3)10-14-7-8-15(18-4)16(11-14)19-6-2/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyKLERBPPLIXAMOE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds8

About 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine

3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 79341431) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID79341431
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1ccc(OC)c(OCC)c1
InChIInChI=1S/C16H25NO2/c1-5-9-17-12-13(3)10-14-7-8-15(18-4)16(11-14)19-6-2/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyKLERBPPLIXAMOE-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 79343595
3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79342187
N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
CID 79341427
3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340193
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
3-(3,5-dimethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340398
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341727
2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 5375208
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine (CID 79341431) is 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine is CCCNCC(C)=Cc1ccc(OC)c(OCC)c1.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is KLERBPPLIXAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-9-17-12-13(3)10-14-7-8-15(18-4)16(11-14)19-6-2/h7-8,10-11,17H,5-6,9,12H2,1-4H3.
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine?
3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79341431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).