2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine

C15H25NO2 — CID 116715521

IUPAC2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCCC(OC)C(NC)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-6-14(17-5)15(16-4)12-8-7-9-13(10-12)18-11(2)3/h7-11,14-16H,6H2,1-5H3
InChIKeyZFFSIKWDQWJPCD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds7

About 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine

2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 116715521) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
PubChem CID116715521
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCCC(OC)C(NC)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-6-14(17-5)15(16-4)12-8-7-9-13(10-12)18-11(2)3/h7-11,14-16H,6H2,1-5H3
InChIKeyZFFSIKWDQWJPCD-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715506
2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 116716598
N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 105019058
2-ethoxy-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116716401
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076
2-ethoxy-N,2-dimethyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 116726622
[2-ethoxy-1-(3-propan-2-yloxyphenyl)pentyl]hydrazine
CID 105271449
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
2-methoxy-1-(3-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116719987
2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105029351
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine (CID 116715521) is 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine is CCC(OC)C(NC)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is ZFFSIKWDQWJPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-14(17-5)15(16-4)12-8-7-9-13(10-12)18-11(2)3/h7-11,14-16H,6H2,1-5H3.
What are the key properties of 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 116715521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).