2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

C11H15F3N2 — CID 143741349

IUPAC2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCCNc1cc(C)ccc1NCC(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-3-15-10-6-8(2)4-5-9(10)16-7-11(12,13)14/h4-6,15-16H,3,7H2,1-2H3
InChIKeyIQUDJNDAYHOLRO-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.40
Rot. Bonds4

About 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (PubChem CID 143741349) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
PubChem CID143741349
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCCNc1cc(C)ccc1NCC(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-3-15-10-6-8(2)4-5-9(10)16-7-11(12,13)14/h4-6,15-16H,3,7H2,1-2H3
InChIKeyIQUDJNDAYHOLRO-UHFFFAOYSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82757110
N,2-diethyl-4-methylaniline
CID 23348946
1-N-ethyl-2-nitro-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
CID 80777995
N,2-diethyl-5-methylaniline;ethane
CID 143835073
1-N-ethyl-2-N,2-N,4-trimethylbenzene-1,2-diamine
CID 59688677
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
2-bromo-1-N,3-N-diethyl-5-methylbenzene-1,3-diamine
CID 174639511
4-methyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169371397
3-methyl-4-(2,2,2-trifluoroethylamino)benzonitrile
CID 60930131
N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914656
1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
CID 114493488
2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
CID 103461763

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (CID 143741349) is 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is CCNc1cc(C)ccc1NCC(F)(F)F.
What is the InChIKey of 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The InChIKey is IQUDJNDAYHOLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-15-10-6-8(2)4-5-9(10)16-7-11(12,13)14/h4-6,15-16H,3,7H2,1-2H3.
What are the key properties of 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is sourced from PubChem (CID 143741349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).