ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline

C19H29NO — CID 142497579

IUPACethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
SMILESCC.COc1ccc(C)cc1.Cc1ccc(N(C)C)cc1
InChIInChI=1S/C9H13N.C8H10O.C2H6/c1-8-4-6-9(7-5-8)10(2)3;1-7-3-5-8(9-2)6-4-7;1-2/h4-7H,1-3H3;3-6H,1-2H3;1-2H3
InChIKeyYLYJLJUKABKBIM-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.09
Rot. Bonds2

About ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline

ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline (PubChem CID 142497579) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline.

Molecular Properties

Compound Nameethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
PubChem CID142497579
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Nameethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
SMILESCC.COc1ccc(C)cc1.Cc1ccc(N(C)C)cc1
InChIInChI=1S/C9H13N.C8H10O.C2H6/c1-8-4-6-9(7-5-8)10(2)3;1-7-3-5-8(9-2)6-4-7;1-2/h4-7H,1-3H3;3-6H,1-2H3;1-2H3
InChIKeyYLYJLJUKABKBIM-UHFFFAOYSA-N
XLogP5.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline 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

4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
1-(4-methoxyphenyl)-1-(4-methylphenyl)hydrazine
CID 66898674
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
4-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-N,N-dimethylaniline
CID 23265035

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline?
The IUPAC name of ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline (CID 142497579) is ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline.
What is the SMILES notation for ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline?
The canonical SMILES for ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline is CC.COc1ccc(C)cc1.Cc1ccc(N(C)C)cc1.
What is the InChIKey of ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline?
The InChIKey is YLYJLJUKABKBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H10O.C2H6/c1-8-4-6-9(7-5-8)10(2)3;1-7-3-5-8(9-2)6-4-7;1-2/h4-7H,1-3H3;3-6H,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline?
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline has a molecular weight of 287.45 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline is sourced from PubChem (CID 142497579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).