2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol

C24H25NO — CID 143289913

IUPAC2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol
SMILESCC(C)=C(c1ccccc1O)N(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C24H25NO/c1-17(2)24(20-13-7-10-16-23(20)26)25(21-14-8-5-11-18(21)3)22-15-9-6-12-19(22)4/h5-16,26H,1-4H3
InChIKeyABUIZBXXAGCASB-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.60
Rot. Bonds4

About 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol

2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol (PubChem CID 143289913) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol.

Molecular Properties

Compound Name2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol
PubChem CID143289913
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol
SMILESCC(C)=C(c1ccccc1O)N(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C24H25NO/c1-17(2)24(20-13-7-10-16-23(20)26)25(21-14-8-5-11-18(21)3)22-15-9-6-12-19(22)4/h5-16,26H,1-4H3
InChIKeyABUIZBXXAGCASB-UHFFFAOYSA-N
XLogP6.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methylphenyl)ethanimidamide
CID 53437204
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349
1,1-bis(2-methylphenyl)urea
CID 3049256
2-(N-carboxy-2-methylanilino)-3-methylbenzoic acid
CID 173215689
2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)
CID 143430727
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
2-methyl-N-prop-1-en-2-yl-N-(4-prop-1-en-2-ylphenyl)aniline
CID 143656363
zinc 2-methylphenol
CID 10374903
ethane;2-methylphenol
CID 54326461
N-ethyl-3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82829552
2-(2-methyl-N-propylanilino)phenol
CID 12677144
N-(2-methylphenyl)-N-phenylcarbamoyl chloride
CID 54268950

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol?
The IUPAC name of 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol (CID 143289913) is 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol.
What is the SMILES notation for 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol?
The canonical SMILES for 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol is CC(C)=C(c1ccccc1O)N(c1ccccc1C)c1ccccc1C.
What is the InChIKey of 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol?
The InChIKey is ABUIZBXXAGCASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-17(2)24(20-13-7-10-16-23(20)26)25(21-14-8-5-11-18(21)3)22-15-9-6-12-19(22)4/h5-16,26H,1-4H3.
What are the key properties of 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol?
2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol has a molecular weight of 343.47 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(2-methyl-N-(2-methylphenyl)anilino)prop-1-enyl]phenol is sourced from PubChem (CID 143289913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).