ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene

C23H29NO — CID 144508046

IUPACethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
SMILESCC.CNc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C14H15NO.C7H8.C2H6/c1-11-3-7-13(8-4-11)16-14-9-5-12(15-2)6-10-14;1-7-5-3-2-4-6-7;1-2/h3-10,15H,1-2H3;2-6H,1H3;1-2H3
InChIKeyDPGAYVWDBVWCMK-UHFFFAOYSA-N
MW335.49 g/mol
LogP6.85
Rot. Bonds3

About ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene

ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene (PubChem CID 144508046) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene.

Molecular Properties

Compound Nameethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
PubChem CID144508046
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Nameethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
SMILESCC.CNc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C14H15NO.C7H8.C2H6/c1-11-3-7-13(8-4-11)16-14-9-5-12(15-2)6-10-14;1-7-5-3-2-4-6-7;1-2/h3-10,15H,1-2H3;2-6H,1H3;1-2H3
InChIKeyDPGAYVWDBVWCMK-UHFFFAOYSA-N
XLogP6.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethylaniline;ethane
CID 90758225
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
N-methyl-4-phenoxyaniline;N-(3-methylphenyl)formamide
CID 143184323
N,4-dimethylaniline;methane
CID 159702289
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
4-(4-tert-butylphenoxy)-N-methylaniline
CID 83549428
N-methyl-5-(4-phenylphenoxy)pyridin-3-amine
CID 104536254
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene?
The IUPAC name of ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene (CID 144508046) is ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene.
What is the SMILES notation for ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene?
The canonical SMILES for ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene is CC.CNc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccccc1.
What is the InChIKey of ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene?
The InChIKey is DPGAYVWDBVWCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C7H8.C2H6/c1-11-3-7-13(8-4-11)16-14-9-5-12(15-2)6-10-14;1-7-5-3-2-4-6-7;1-2/h3-10,15H,1-2H3;2-6H,1H3;1-2H3.
What are the key properties of ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene?
ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene has a molecular weight of 335.49 g/mol, XLogP of 6.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene is sourced from PubChem (CID 144508046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).