N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline

C17H21NO — CID 159776182

IUPACN-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H21NO/c1-17(2,3)19-16-12-10-15(11-13-16)18(4)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKeyAVCVEDOKWCUVEK-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.63
Rot. Bonds3

About N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline

N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline (PubChem CID 159776182) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
PubChem CID159776182
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H21NO/c1-17(2,3)19-16-12-10-15(11-13-16)18(4)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKeyAVCVEDOKWCUVEK-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
ethene;N-methyl-N-phenylaniline
CID 144541479
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
bromo-[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-λ4-sulfane
CID 140512605
3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 96676188

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline?
The IUPAC name of N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline (CID 159776182) is N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline.
What is the SMILES notation for N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline?
The canonical SMILES for N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline is CN(c1ccccc1)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline?
The InChIKey is AVCVEDOKWCUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,3)19-16-12-10-15(11-13-16)18(4)14-8-6-5-7-9-14/h5-13H,1-4H3.
What are the key properties of N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline?
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline is sourced from PubChem (CID 159776182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).