4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine

C15H22F3N3 — CID 105414185

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCN(CC1(N(C)C)CCC1)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H22F3N3/c1-20(2)14(7-4-8-14)10-21(3)11-5-6-13(19)12(9-11)15(16,17)18/h5-6,9H,4,7-8,10,19H2,1-3H3
InChIKeySYORMSSUCYMTFK-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.21
Rot. Bonds4

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 105414185) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID105414185
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCN(CC1(N(C)C)CCC1)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H22F3N3/c1-20(2)14(7-4-8-14)10-21(3)11-5-6-13(19)12(9-11)15(16,17)18/h5-6,9H,4,7-8,10,19H2,1-3H3
InChIKeySYORMSSUCYMTFK-UHFFFAOYSA-N
XLogP3.21
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.21
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

2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105414204
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 63276067
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 154735971
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402498
1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114947828
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-(trifluoromethyl)benzaldehyde
CID 114950069
1-[[4-(hydroxymethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114950302
2-[4-amino-N-(cyanomethyl)-3-(trifluoromethyl)anilino]acetonitrile
CID 18069953
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline
CID 105418560
6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine
CID 105415245
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 112656935

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine (CID 105414185) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine is CN(CC1(N(C)C)CCC1)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is SYORMSSUCYMTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-20(2)14(7-4-8-14)10-21(3)11-5-6-13(19)12(9-11)15(16,17)18/h5-6,9H,4,7-8,10,19H2,1-3H3.
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 301.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 105414185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).