2,3-dimethylaniline;ethane

C10H17N — CID 142025904

IUPAC2,3-dimethylaniline;ethane
SMILESCC.Cc1cccc(N)c1C
InChIInChI=1S/C8H11N.C2H6/c1-6-4-3-5-8(9)7(6)2;1-2/h3-5H,9H2,1-2H3;1-2H3
InChIKeyATBRJLRFFDYSNF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.91
Rot. Bonds

About 2,3-dimethylaniline;ethane

2,3-dimethylaniline;ethane (PubChem CID 142025904) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,3-dimethylaniline;ethane.

Molecular Properties

Compound Name2,3-dimethylaniline;ethane
PubChem CID142025904
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,3-dimethylaniline;ethane
SMILESCC.Cc1cccc(N)c1C
InChIInChI=1S/C8H11N.C2H6/c1-6-4-3-5-8(9)7(6)2;1-2/h3-5H,9H2,1-2H3;1-2H3
InChIKeyATBRJLRFFDYSNF-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.91
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

2,3-dimethylaniline;N,N-dimethylmethanamine
CID 69304768
2,3-dimethylaniline;sulfur dioxide
CID 154998449
2,3-dimethylaniline;sulfur trioxide
CID 174311736
2,3-dimethylaniline;formic acid
CID 66886773
ethane;1,2,3-trimethylbenzene
CID 54068667
N-benzyl-1-phenylmethanamine;2,3-dimethylaniline
CID 70576853
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
3-methylbenzene-1,2-diamine
CID 162019775
ethane;methanamine;2-methylaniline
CID 91356397
2,3-dimethylaniline;2,3,4-trideuterio-5-methyl-6-(trideuteriomethyl)aniline
CID 159444672
benzene;1,2,3-trimethylbenzene
CID 159605245
CID 175394275
CID 175394275

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylaniline;ethane?
The IUPAC name of 2,3-dimethylaniline;ethane (CID 142025904) is 2,3-dimethylaniline;ethane.
What is the SMILES notation for 2,3-dimethylaniline;ethane?
The canonical SMILES for 2,3-dimethylaniline;ethane is CC.Cc1cccc(N)c1C.
What is the InChIKey of 2,3-dimethylaniline;ethane?
The InChIKey is ATBRJLRFFDYSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H6/c1-6-4-3-5-8(9)7(6)2;1-2/h3-5H,9H2,1-2H3;1-2H3.
What are the key properties of 2,3-dimethylaniline;ethane?
2,3-dimethylaniline;ethane has a molecular weight of 151.25 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylaniline;ethane is sourced from PubChem (CID 142025904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).