ethane;3-(N-(4-methylphenyl)anilino)phenol

C21H23NO — CID 144899078

IUPACethane;3-(N-(4-methylphenyl)anilino)phenol
SMILESCC.Cc1ccc(N(c2ccccc2)c2cccc(O)c2)cc1
InChIInChI=1S/C19H17NO.C2H6/c1-15-10-12-17(13-11-15)20(16-6-3-2-4-7-16)18-8-5-9-19(21)14-18;1-2/h2-14,21H,1H3;1-2H3
InChIKeyJXFCBLJUFJINCR-UHFFFAOYSA-N
MW305.42 g/mol
LogP6.20
Rot. Bonds3

About ethane;3-(N-(4-methylphenyl)anilino)phenol

ethane;3-(N-(4-methylphenyl)anilino)phenol (PubChem CID 144899078) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is ethane;3-(N-(4-methylphenyl)anilino)phenol.

Molecular Properties

Compound Nameethane;3-(N-(4-methylphenyl)anilino)phenol
PubChem CID144899078
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Nameethane;3-(N-(4-methylphenyl)anilino)phenol
SMILESCC.Cc1ccc(N(c2ccccc2)c2cccc(O)c2)cc1
InChIInChI=1S/C19H17NO.C2H6/c1-15-10-12-17(13-11-15)20(16-6-3-2-4-7-16)18-8-5-9-19(21)14-18;1-2/h2-14,21H,1H3;1-2H3
InChIKeyJXFCBLJUFJINCR-UHFFFAOYSA-N
XLogP6.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
CID 70600913
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol
CID 20686206
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107

Frequently Asked Questions

What is the IUPAC name of ethane;3-(N-(4-methylphenyl)anilino)phenol?
The IUPAC name of ethane;3-(N-(4-methylphenyl)anilino)phenol (CID 144899078) is ethane;3-(N-(4-methylphenyl)anilino)phenol.
What is the SMILES notation for ethane;3-(N-(4-methylphenyl)anilino)phenol?
The canonical SMILES for ethane;3-(N-(4-methylphenyl)anilino)phenol is CC.Cc1ccc(N(c2ccccc2)c2cccc(O)c2)cc1.
What is the InChIKey of ethane;3-(N-(4-methylphenyl)anilino)phenol?
The InChIKey is JXFCBLJUFJINCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO.C2H6/c1-15-10-12-17(13-11-15)20(16-6-3-2-4-7-16)18-8-5-9-19(21)14-18;1-2/h2-14,21H,1H3;1-2H3.
What are the key properties of ethane;3-(N-(4-methylphenyl)anilino)phenol?
ethane;3-(N-(4-methylphenyl)anilino)phenol has a molecular weight of 305.42 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(N-(4-methylphenyl)anilino)phenol is sourced from PubChem (CID 144899078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).