N-(difluoromethyl)-4-methylaniline;ethane

C10H15F2N — CID 170790266

IUPACN-(difluoromethyl)-4-methylaniline;ethane
SMILESCC.Cc1ccc(NC(F)F)cc1
InChIInChI=1S/C8H9F2N.C2H6/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h2-5,8,11H,1H3;1-2H3
InChIKeyUCARNOAYQHEAPY-UHFFFAOYSA-N
MW187.23 g/mol
LogP3.66
Rot. Bonds2

About N-(difluoromethyl)-4-methylaniline;ethane

N-(difluoromethyl)-4-methylaniline;ethane (PubChem CID 170790266) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is N-(difluoromethyl)-4-methylaniline;ethane.

Molecular Properties

Compound NameN-(difluoromethyl)-4-methylaniline;ethane
PubChem CID170790266
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC NameN-(difluoromethyl)-4-methylaniline;ethane
SMILESCC.Cc1ccc(NC(F)F)cc1
InChIInChI=1S/C8H9F2N.C2H6/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h2-5,8,11H,1H3;1-2H3
InChIKeyUCARNOAYQHEAPY-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
N-(difluoromethyl)-4-methoxyaniline
CID 118609343
1,1-difluoroethane;1,4-xylene
CID 169209229
N,4-dimethylaniline;ethane
CID 90758225
N-(1-methoxyethyl)-4-methylaniline
CID 174872064
methylamino-(4-methylanilino)methanol
CID 166978175
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850
ethane;N-(2-fluoropropan-2-yl)-4-methylaniline
CID 170607976
diethyl-bis(4-methylanilino)phosphanium
CID 132582432

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-4-methylaniline;ethane?
The IUPAC name of N-(difluoromethyl)-4-methylaniline;ethane (CID 170790266) is N-(difluoromethyl)-4-methylaniline;ethane.
What is the SMILES notation for N-(difluoromethyl)-4-methylaniline;ethane?
The canonical SMILES for N-(difluoromethyl)-4-methylaniline;ethane is CC.Cc1ccc(NC(F)F)cc1.
What is the InChIKey of N-(difluoromethyl)-4-methylaniline;ethane?
The InChIKey is UCARNOAYQHEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N.C2H6/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h2-5,8,11H,1H3;1-2H3.
What are the key properties of N-(difluoromethyl)-4-methylaniline;ethane?
N-(difluoromethyl)-4-methylaniline;ethane has a molecular weight of 187.23 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-4-methylaniline;ethane is sourced from PubChem (CID 170790266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).