2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol

C17H19NO — CID 138652655

IUPAC2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
SMILESC=C(Nc1ccc(C)cc1C)c1cc(C)ccc1O
InChIInChI=1S/C17H19NO/c1-11-5-7-16(13(3)9-11)18-14(4)15-10-12(2)6-8-17(15)19/h5-10,18-19H,4H2,1-3H3
InChIKeyVWFKEFHRBROSPS-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.40
Rot. Bonds3

About 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol

2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol (PubChem CID 138652655) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
PubChem CID138652655
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol
SMILESC=C(Nc1ccc(C)cc1C)c1cc(C)ccc1O
InChIInChI=1S/C17H19NO/c1-11-5-7-16(13(3)9-11)18-14(4)15-10-12(2)6-8-17(15)19/h5-10,18-19H,4H2,1-3H3
InChIKeyVWFKEFHRBROSPS-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine
CID 170143684
butane;butan-2-one;hexane;4-methyl-2-[1-(2-methylanilino)ethenyl]phenol
CID 143816040
[4-[1-(2-chloro-5-methylphenyl)ethenylamino]-3-methylphenyl]cyanamide
CID 138653560
4-methylheptane;2-methylhexane;4-methyl-2-[1-(2-methylanilino)ethenyl]phenol
CID 143816143
CID 172763014
CID 172763014
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
(3Z)-2-N-(2,4-dimethylphenyl)-4-N,3-dimethylpenta-1,3-diene-2,4-diamine
CID 59957618
2,4-dimethylphenol
CID 67713801
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
2-but-1-en-2-yl-4-methylphenol
CID 142975945
1-N-[1-(2,5-dimethylphenyl)ethenyl]-2,4-difluoro-3-N-methylbenzene-1,3-diamine
CID 166842219
2,4-dimethylphenol;yttrium
CID 87733318

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol?
The IUPAC name of 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol (CID 138652655) is 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol?
The canonical SMILES for 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol is C=C(Nc1ccc(C)cc1C)c1cc(C)ccc1O.
What is the InChIKey of 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol?
The InChIKey is VWFKEFHRBROSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-5-7-16(13(3)9-11)18-14(4)15-10-12(2)6-8-17(15)19/h5-10,18-19H,4H2,1-3H3.
What are the key properties of 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol?
2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol has a molecular weight of 253.34 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylanilino)ethenyl]-4-methylphenol is sourced from PubChem (CID 138652655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).