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

C17H21NO — CID 82537405

IUPAC2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
SMILESCc1cc(OC(C)(C)C)ccc1Nc1ccccc1
InChIInChI=1S/C17H21NO/c1-13-12-15(19-17(2,3)4)10-11-16(13)18-14-8-6-5-7-9-14/h5-12,18H,1-4H3
InChIKeyWOGCMILGQQXTJI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.92
Rot. Bonds3

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

2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline (PubChem CID 82537405) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
PubChem CID82537405
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
SMILESCc1cc(OC(C)(C)C)ccc1Nc1ccccc1
InChIInChI=1S/C17H21NO/c1-13-12-15(19-17(2,3)4)10-11-16(13)18-14-8-6-5-7-9-14/h5-12,18H,1-4H3
InChIKeyWOGCMILGQQXTJI-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline
CID 82537145
3-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]anilino]butanoic acid
CID 82539311
1-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 123252856
[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
CID 67275396
4-ethoxy-2-methyl-N-(3-methylphenyl)aniline
CID 70470964
1-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 58660022
CID 23434792
CID 23434792
1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene
CID 90312399
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 118299415
4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 167009511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline?
The IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline (CID 82537405) is 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline.
What is the SMILES notation for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline?
The canonical SMILES for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline is Cc1cc(OC(C)(C)C)ccc1Nc1ccccc1.
What is the InChIKey of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline?
The InChIKey is WOGCMILGQQXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-12-15(19-17(2,3)4)10-11-16(13)18-14-8-6-5-7-9-14/h5-12,18H,1-4H3.
What are the key properties of 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline?
2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline is sourced from PubChem (CID 82537405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).