2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine

C16H27NO2 — CID 116720529

IUPAC2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1OC)C(OC)C(C)C
InChIInChI=1S/C16H27NO2/c1-6-11-17-15(16(19-5)12(2)3)13-9-7-8-10-14(13)18-4/h7-10,12,15-17H,6,11H2,1-5H3
InChIKeyXJDPXXFYJPHIRF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds8

About 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine

2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 116720529) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
PubChem CID116720529
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1OC)C(OC)C(C)C
InChIInChI=1S/C16H27NO2/c1-6-11-17-15(16(19-5)12(2)3)13-9-7-8-10-14(13)18-4/h7-10,12,15-17H,6,11H2,1-5H3
InChIKeyXJDPXXFYJPHIRF-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763360
2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720561
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(1-benzofuran-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114731176
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine (CID 116720529) is 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine is CCCNC(c1ccccc1OC)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is XJDPXXFYJPHIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-11-17-15(16(19-5)12(2)3)13-9-7-8-10-14(13)18-4/h7-10,12,15-17H,6,11H2,1-5H3.
What are the key properties of 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116720529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).