3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol

C25H29NO3 — CID 59739466

IUPAC3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(CCOCC(O)CO)cc2)cc1
InChIInChI=1S/C25H29NO3/c1-19-3-9-22(10-4-19)26(23-11-5-20(2)6-12-23)24-13-7-21(8-14-24)15-16-29-18-25(28)17-27/h3-14,25,27-28H,15-18H2,1-2H3
InChIKeyDYWMMJLJJSFNIW-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.69
Rot. Bonds9

About 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol

3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol (PubChem CID 59739466) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol
PubChem CID59739466
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(CCOCC(O)CO)cc2)cc1
InChIInChI=1S/C25H29NO3/c1-19-3-9-22(10-4-19)26(23-11-5-20(2)6-12-23)24-13-7-21(8-14-24)15-16-29-18-25(28)17-27/h3-14,25,27-28H,15-18H2,1-2H3
InChIKeyDYWMMJLJJSFNIW-UHFFFAOYSA-N
XLogP4.69
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[N-[4-(2,3-dihydroxypropoxy)phenyl]-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenoxy]propane-1,2-diol
CID 58892559
3-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]propane-1,2-diol
CID 23132622
3-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenoxy]propane-1,2-diol
CID 59739341
6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
CID 20580260
2-(4-methylphenyl)ethoxysilane
CID 123877685
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855
1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene
CID 89081289
3-(4-methylphenoxy)propane-1,2-diol;2-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenoxy]ethanol
CID 91516584
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
4-[3-(2,3-dihydroxypropoxy)propyl]benzaldehyde
CID 21301820

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol?
The IUPAC name of 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol (CID 59739466) is 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol is Cc1ccc(N(c2ccc(C)cc2)c2ccc(CCOCC(O)CO)cc2)cc1.
What is the InChIKey of 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol?
The InChIKey is DYWMMJLJJSFNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-19-3-9-22(10-4-19)26(23-11-5-20(2)6-12-23)24-13-7-21(8-14-24)15-16-29-18-25(28)17-27/h3-14,25,27-28H,15-18H2,1-2H3.
What are the key properties of 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol?
3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol has a molecular weight of 391.51 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol is sourced from PubChem (CID 59739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).