N,N-diethylaniline;N,N,3-trimethylaniline

C19H28N2 — CID 67788378

IUPACN,N-diethylaniline;N,N,3-trimethylaniline
SMILESCCN(CC)c1ccccc1.Cc1cccc(N(C)C)c1
InChIInChI=1S/C10H15N.C9H13N/c1-3-11(4-2)10-8-6-5-7-9-10;1-8-5-4-6-9(7-8)10(2)3/h5-9H,3-4H2,1-2H3;4-7H,1-3H3
InChIKeyJMXVYJSLIHJGJH-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.59
Rot. Bonds4

About N,N-diethylaniline;N,N,3-trimethylaniline

N,N-diethylaniline;N,N,3-trimethylaniline (PubChem CID 67788378) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N,N-diethylaniline;N,N,3-trimethylaniline.

Molecular Properties

Compound NameN,N-diethylaniline;N,N,3-trimethylaniline
PubChem CID67788378
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN,N-diethylaniline;N,N,3-trimethylaniline
SMILESCCN(CC)c1ccccc1.Cc1cccc(N(C)C)c1
InChIInChI=1S/C10H15N.C9H13N/c1-3-11(4-2)10-8-6-5-7-9-10;1-8-5-4-6-9(7-8)10(2)3/h5-9H,3-4H2,1-2H3;4-7H,1-3H3
InChIKeyJMXVYJSLIHJGJH-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 138691650
CID 138691650
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
N,N-diethylaniline
CID 7061
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N-diethylaniline;hydrazine
CID 161037544
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
dichloromethane;N,N-diethylaniline
CID 157472052
CID 161146216
CID 161146216
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
1-(N-ethyl-3-methylanilino)-2-phenylpropan-2-ol
CID 62374821

Frequently Asked Questions

What is the IUPAC name of N,N-diethylaniline;N,N,3-trimethylaniline?
The IUPAC name of N,N-diethylaniline;N,N,3-trimethylaniline (CID 67788378) is N,N-diethylaniline;N,N,3-trimethylaniline.
What is the SMILES notation for N,N-diethylaniline;N,N,3-trimethylaniline?
The canonical SMILES for N,N-diethylaniline;N,N,3-trimethylaniline is CCN(CC)c1ccccc1.Cc1cccc(N(C)C)c1.
What is the InChIKey of N,N-diethylaniline;N,N,3-trimethylaniline?
The InChIKey is JMXVYJSLIHJGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H13N/c1-3-11(4-2)10-8-6-5-7-9-10;1-8-5-4-6-9(7-8)10(2)3/h5-9H,3-4H2,1-2H3;4-7H,1-3H3.
What are the key properties of N,N-diethylaniline;N,N,3-trimethylaniline?
N,N-diethylaniline;N,N,3-trimethylaniline has a molecular weight of 284.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylaniline;N,N,3-trimethylaniline is sourced from PubChem (CID 67788378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).