4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine

C14H20F3N3 — CID 63276067

IUPAC4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCN1CCC(CN(C)c2ccc(N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H20F3N3/c1-19-6-5-10(8-19)9-20(2)11-3-4-13(18)12(7-11)14(15,16)17/h3-4,7,10H,5-6,8-9,18H2,1-2H3
InChIKeySRYZEXROCCCZOQ-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.68
Rot. Bonds3

About 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine

4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 63276067) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID63276067
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCN1CCC(CN(C)c2ccc(N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H20F3N3/c1-19-6-5-10(8-19)9-20(2)11-3-4-13(18)12(7-11)14(15,16)17/h3-4,7,10H,5-6,8-9,18H2,1-2H3
InChIKeySRYZEXROCCCZOQ-UHFFFAOYSA-N
XLogP2.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63274111
2-amino-N-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenesulfonamide
CID 80642598
3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
CID 112647771
2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
CID 115124012
4-(bromomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107083460
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 105414185
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde
CID 55171627
2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 63272603
2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide
CID 79467123
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275836
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215098
4-amino-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 82843657

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine (CID 63276067) is 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine is CN1CCC(CN(C)c2ccc(N)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is SRYZEXROCCCZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-19-6-5-10(8-19)9-20(2)11-3-4-13(18)12(7-11)14(15,16)17/h3-4,7,10H,5-6,8-9,18H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 287.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 63276067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).