3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline

C15H25NO2 — CID 141057121

IUPAC3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1cccc(C(C)(C)C)c1OC
InChIInChI=1S/C15H25NO2/c1-11(10-17-5)16-13-9-7-8-12(14(13)18-6)15(2,3)4/h7-9,11,16H,10H2,1-6H3
InChIKeyVGNPHCWJMPFGGH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.44
Rot. Bonds5

About 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline

3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline (PubChem CID 141057121) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline
PubChem CID141057121
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline
SMILESCOCC(C)Nc1cccc(C(C)(C)C)c1OC
InChIInChI=1S/C15H25NO2/c1-11(10-17-5)16-13-9-7-8-12(14(13)18-6)15(2,3)4/h7-9,11,16H,10H2,1-6H3
InChIKeyVGNPHCWJMPFGGH-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline (CID 141057121) is 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline is COCC(C)Nc1cccc(C(C)(C)C)c1OC.
What is the InChIKey of 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is VGNPHCWJMPFGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(10-17-5)16-13-9-7-8-12(14(13)18-6)15(2,3)4/h7-9,11,16H,10H2,1-6H3.
What are the key properties of 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline?
3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 251.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 141057121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).