3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine

C9H11F3N2 — CID 97301750

IUPAC3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
SMILESCN(C)c1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-14(2)8-5-6(13)3-4-7(8)9(10,11)12/h3-5H,13H2,1-2H3
InChIKeyRAGNRRKBRNUMAS-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.35
Rot. Bonds1

About 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine

3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 97301750) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
PubChem CID97301750
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
SMILESCN(C)c1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-14(2)8-5-6(13)3-4-7(8)9(10,11)12/h3-5H,13H2,1-2H3
InChIKeyRAGNRRKBRNUMAS-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
CID 131637048
3-N-ethyl-3-N-propyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 165477053
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
3-bromo-4-(trifluoromethyl)aniline;hydrochloride
CID 71388900
2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid
CID 62255633
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 19009144
4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 166464293
2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde
CID 170754741
N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide
CID 141144605
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81059481
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine (CID 97301750) is 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine is CN(C)c1cc(N)ccc1C(F)(F)F.
What is the InChIKey of 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine?
The InChIKey is RAGNRRKBRNUMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-14(2)8-5-6(13)3-4-7(8)9(10,11)12/h3-5H,13H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine?
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 204.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 97301750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).