4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine

C10H13F3N2 — CID 64566301

IUPAC4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine
SMILESCN(CCC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C10H13F3N2/c1-15(7-6-10(11,12)13)9-4-2-8(14)3-5-9/h2-5H,6-7,14H2,1H3
InChIKeyAULMOFPLVGPTQW-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.66
Rot. Bonds3

About 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine

4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine (PubChem CID 64566301) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine
PubChem CID64566301
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine
SMILESCN(CCC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C10H13F3N2/c1-15(7-6-10(11,12)13)9-4-2-8(14)3-5-9/h2-5H,6-7,14H2,1H3
InChIKeyAULMOFPLVGPTQW-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-methylanilino)ethyl-trimethylazanium
CID 23132182
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline
CID 80556590
5-(4-amino-N-methylanilino)-2,2-dimethylpentanenitrile
CID 65255711
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
4-N-[4-[4-[fluoro(4,4,4-trifluorobutyl)amino]-N-[4-[fluoro(4,4,4-trifluorobutyl)amino]phenyl]anilino]phenyl]-1-N-methyl-4-N-[4-[methyl(4,4,4-trifluorobutyl)amino]phenyl]-1-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 130187748
2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962159
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 81278791
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115474266
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine (CID 64566301) is 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine is CN(CCC(F)(F)F)c1ccc(N)cc1.
What is the InChIKey of 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine?
The InChIKey is AULMOFPLVGPTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-15(7-6-10(11,12)13)9-4-2-8(14)3-5-9/h2-5H,6-7,14H2,1H3.
What are the key properties of 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine?
4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine has a molecular weight of 218.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine is sourced from PubChem (CID 64566301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).