ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline

C28H43NO — CID 143762169

IUPACethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
SMILESCC.CC.CC.CO.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N.3C2H6.CH4O/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;4*1-2/h4-15H,1-3H3;3*1-2H3;2H,1H3
InChIKeyBBPCEVCFCUDOOL-UHFFFAOYSA-N
MW409.66 g/mol
LogP8.77
Rot. Bonds3

About ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline

ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline (PubChem CID 143762169) has the molecular formula C28H43NO and a molecular weight of 409.66 g/mol. Its IUPAC name is ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Nameethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
PubChem CID143762169
Molecular FormulaC28H43NO
Molecular Weight409.66 g/mol
Exact Mass409.33
IUPAC Nameethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
SMILESCC.CC.CC.CO.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N.3C2H6.CH4O/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;4*1-2/h4-15H,1-3H3;3*1-2H3;2H,1H3
InChIKeyBBPCEVCFCUDOOL-UHFFFAOYSA-N
XLogP8.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
ethane;methanol;1,4-xylene
CID 171074418
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 23557767
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
CID 70600913
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline (CID 143762169) is ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline is CC.CC.CC.CO.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline?
The InChIKey is BBPCEVCFCUDOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N.3C2H6.CH4O/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;4*1-2/h4-15H,1-3H3;3*1-2H3;2H,1H3.
What are the key properties of ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline?
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline has a molecular weight of 409.66 g/mol, XLogP of 8.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 143762169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).