3-ethyl-2,4-dimethylaniline

C10H15N — CID 20714339

IUPAC3-ethyl-2,4-dimethylaniline
SMILESCCc1c(C)ccc(N)c1C
InChIInChI=1S/C10H15N/c1-4-9-7(2)5-6-10(11)8(9)3/h5-6H,4,11H2,1-3H3
InChIKeyXTYWVGYXEANYDD-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.45
Rot. Bonds1

About 3-ethyl-2,4-dimethylaniline

3-ethyl-2,4-dimethylaniline (PubChem CID 20714339) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylaniline.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylaniline
PubChem CID20714339
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-ethyl-2,4-dimethylaniline
SMILESCCc1c(C)ccc(N)c1C
InChIInChI=1S/C10H15N/c1-4-9-7(2)5-6-10(11)8(9)3/h5-6H,4,11H2,1-3H3
InChIKeyXTYWVGYXEANYDD-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-3-pentylaniline
CID 68571869
1-N,2-diethyl-3-methylbenzene-1,4-diamine
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N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine
CID 87788373
2-methyl-3,4-dipropylaniline
CID 70515438
3-ethyl-2,4-dimethylbenzoic acid
CID 70082464
2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene
CID 143363973
3-chloro-2,4-dimethylaniline
CID 15278607
1,2-diethyl-3,4-dimethylbenzene
CID 590292
3-amino-2,6-dimethylphenol;hydrochloride
CID 21322807
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylaniline?
The IUPAC name of 3-ethyl-2,4-dimethylaniline (CID 20714339) is 3-ethyl-2,4-dimethylaniline.
What is the SMILES notation for 3-ethyl-2,4-dimethylaniline?
The canonical SMILES for 3-ethyl-2,4-dimethylaniline is CCc1c(C)ccc(N)c1C.
What is the InChIKey of 3-ethyl-2,4-dimethylaniline?
The InChIKey is XTYWVGYXEANYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-9-7(2)5-6-10(11)8(9)3/h5-6H,4,11H2,1-3H3.
What are the key properties of 3-ethyl-2,4-dimethylaniline?
3-ethyl-2,4-dimethylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethylaniline is sourced from PubChem (CID 20714339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).