4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline

C15H25NO — CID 146626149

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)10-16-14-8-6-13(7-9-14)11-17-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyLUCRQAPUXDJUFQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.07
Rot. Bonds5

About 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline

4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline (PubChem CID 146626149) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
PubChem CID146626149
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)10-16-14-8-6-13(7-9-14)11-17-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyLUCRQAPUXDJUFQ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
4-(2-methylpropylamino)phenol
CID 15847203
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
4-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 115876906
4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline
CID 83961206
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
methyl 4-(2-methylpropylamino)benzoate
CID 12045610
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline (CID 146626149) is 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline is CC(C)CNc1ccc(COC(C)(C)C)cc1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline?
The InChIKey is LUCRQAPUXDJUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)10-16-14-8-6-13(7-9-14)11-17-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline?
4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline has a molecular weight of 235.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline is sourced from PubChem (CID 146626149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).