2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline

C22H23NO — CID 139964589

IUPAC2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline
SMILESCC(C)(C)Oc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-22(2,3)24-21-17-11-10-16-20(21)23(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17H,1-3H3
InChIKeyAAHPEBWPKVLFAO-UHFFFAOYSA-N
MW317.43 g/mol
LogP6.33
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline

2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline (PubChem CID 139964589) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline
PubChem CID139964589
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline
SMILESCC(C)(C)Oc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-22(2,3)24-21-17-11-10-16-20(21)23(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17H,1-3H3
InChIKeyAAHPEBWPKVLFAO-UHFFFAOYSA-N
XLogP6.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-2-phosphanyloxyaniline
CID 141338071
2-butoxy-N,N-diphenylaniline
CID 154486534
[2-(N-phenylanilino)phenyl] dihydrogen phosphate
CID 151980927
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747
2-(2-methylphenoxy)-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 123318693
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
CID 159776182
boric acid;2-hexoxy-N,N-diphenylaniline
CID 174868149
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 91197714
2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 154951531
4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139847758

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline (CID 139964589) is 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline is CC(C)(C)Oc1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline?
The InChIKey is AAHPEBWPKVLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-22(2,3)24-21-17-11-10-16-20(21)23(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17H,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline?
2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline has a molecular weight of 317.43 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline is sourced from PubChem (CID 139964589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).