N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline

C22H39NO2 — CID 21043206

IUPACN,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline
SMILESCC(COC(C)(C)C)CN(CC(C)COC(C)(C)C)c1ccccc1
InChIInChI=1S/C22H39NO2/c1-18(16-24-21(3,4)5)14-23(20-12-10-9-11-13-20)15-19(2)17-25-22(6,7)8/h9-13,18-19H,14-17H2,1-8H3
InChIKeyDUZGUBKPCYCRGH-UHFFFAOYSA-N
MW349.56 g/mol
LogP5.40
Rot. Bonds9

About N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline

N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline (PubChem CID 21043206) has the molecular formula C22H39NO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline.

Molecular Properties

Compound NameN,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline
PubChem CID21043206
Molecular FormulaC22H39NO2
Molecular Weight349.56 g/mol
Exact Mass349.30
IUPAC NameN,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline
SMILESCC(COC(C)(C)C)CN(CC(C)COC(C)(C)C)c1ccccc1
InChIInChI=1S/C22H39NO2/c1-18(16-24-21(3,4)5)14-23(20-12-10-9-11-13-20)15-19(2)17-25-22(6,7)8/h9-13,18-19H,14-17H2,1-8H3
InChIKeyDUZGUBKPCYCRGH-UHFFFAOYSA-N
XLogP5.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline?
The IUPAC name of N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline (CID 21043206) is N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline.
What is the SMILES notation for N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline?
The canonical SMILES for N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline is CC(COC(C)(C)C)CN(CC(C)COC(C)(C)C)c1ccccc1.
What is the InChIKey of N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline?
The InChIKey is DUZGUBKPCYCRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2/c1-18(16-24-21(3,4)5)14-23(20-12-10-9-11-13-20)15-19(2)17-25-22(6,7)8/h9-13,18-19H,14-17H2,1-8H3.
What are the key properties of N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline?
N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline has a molecular weight of 349.56 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline is sourced from PubChem (CID 21043206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).