4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine

C17H29NO2 — CID 105144070

IUPAC4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1cc(C)ccc1OC
InChIInChI=1S/C17H29NO2/c1-6-9-18-16(11-14(3)12-19-4)15-10-13(2)7-8-17(15)20-5/h7-8,10,14,16,18H,6,9,11-12H2,1-5H3
InChIKeyHRMDXRQTQCHTIK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.72
Rot. Bonds9

About 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine

4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 105144070) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
PubChem CID105144070
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)COC)c1cc(C)ccc1OC
InChIInChI=1S/C17H29NO2/c1-6-9-18-16(11-14(3)12-19-4)15-10-13(2)7-8-17(15)20-5/h7-8,10,14,16,18H,6,9,11-12H2,1-5H3
InChIKeyHRMDXRQTQCHTIK-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 106200526
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998
1-(4-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142781
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
CID 64535027
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
[1-(2,5-dimethylphenyl)-4-methoxy-3-methylbutyl]hydrazine
CID 105292625
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine (CID 105144070) is 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)COC)c1cc(C)ccc1OC.
What is the InChIKey of 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is HRMDXRQTQCHTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-9-18-16(11-14(3)12-19-4)15-10-13(2)7-8-17(15)20-5/h7-8,10,14,16,18H,6,9,11-12H2,1-5H3.
What are the key properties of 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine?
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105144070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).