3,5-dimethylaniline;hydrofluoride

C8H12FN — CID 158073989

IUPAC3,5-dimethylaniline;hydrofluoride
SMILESCc1cc(C)cc(N)c1.F
InChIInChI=1S/C8H11N.FH/c1-6-3-7(2)5-8(9)4-6;/h3-5H,9H2,1-2H3;1H
InChIKeyFMDOEGNGKYHLMD-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.04
Rot. Bonds

About 3,5-dimethylaniline;hydrofluoride

3,5-dimethylaniline;hydrofluoride (PubChem CID 158073989) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 3,5-dimethylaniline;hydrofluoride.

Molecular Properties

Compound Name3,5-dimethylaniline;hydrofluoride
PubChem CID158073989
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name3,5-dimethylaniline;hydrofluoride
SMILESCc1cc(C)cc(N)c1.F
InChIInChI=1S/C8H11N.FH/c1-6-3-7(2)5-8(9)4-6;/h3-5H,9H2,1-2H3;1H
InChIKeyFMDOEGNGKYHLMD-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.04
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

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ethane;1,3,5-trimethylbenzene
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amino-(3-amino-5-methylphenyl)methanol
CID 57041170
3-ethoxy-5-methylaniline
CID 67863452
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CID 107579493
CID 156800406
CID 156800406
3-methyl-5-(2-methylpropyl)aniline
CID 107579541
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylaniline;hydrofluoride?
The IUPAC name of 3,5-dimethylaniline;hydrofluoride (CID 158073989) is 3,5-dimethylaniline;hydrofluoride.
What is the SMILES notation for 3,5-dimethylaniline;hydrofluoride?
The canonical SMILES for 3,5-dimethylaniline;hydrofluoride is Cc1cc(C)cc(N)c1.F.
What is the InChIKey of 3,5-dimethylaniline;hydrofluoride?
The InChIKey is FMDOEGNGKYHLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.FH/c1-6-3-7(2)5-8(9)4-6;/h3-5H,9H2,1-2H3;1H.
What are the key properties of 3,5-dimethylaniline;hydrofluoride?
3,5-dimethylaniline;hydrofluoride has a molecular weight of 141.19 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylaniline;hydrofluoride is sourced from PubChem (CID 158073989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).