2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

C15H22BrF3N2 — CID 65483418

IUPAC2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H22BrF3N2/c1-10(2)7-12(9-21(3)4)20-14-6-5-11(16)8-13(14)15(17,18)19/h5-6,8,10,12,20H,7,9H2,1-4H3
InChIKeyRJSQTLFRQIIORA-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.86
Rot. Bonds6

About 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 65483418) has the molecular formula C15H22BrF3N2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID65483418
Molecular FormulaC15H22BrF3N2
Molecular Weight367.25 g/mol
Exact Mass366.09
IUPAC Name2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H22BrF3N2/c1-10(2)7-12(9-21(3)4)20-14-6-5-11(16)8-13(14)15(17,18)19/h5-6,8,10,12,20H,7,9H2,1-4H3
InChIKeyRJSQTLFRQIIORA-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-2-(trifluoromethyl)anilino]-4-methylpentan-1-ol
CID 65485566
5-bromo-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]benzoic acid
CID 114895528
2-[4-bromo-2-(trifluoromethyl)anilino]-4-methylpentanoic acid
CID 65482829
N-[4-bromo-2-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 54918575
4-bromo-N-(1-cyclopropylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 65484790
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
4-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluorobenzene-1,2-diamine
CID 116735685
2-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 82963208
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
4-bromo-N-(6,6,6-trifluorohexan-2-yl)-2-(trifluoromethyl)aniline
CID 116534532
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
1-[4-bromo-2-(trifluoromethyl)phenyl]-N,3-dimethylbutan-1-amine
CID 63416172

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 65483418) is 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is RJSQTLFRQIIORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF3N2/c1-10(2)7-12(9-21(3)4)20-14-6-5-11(16)8-13(14)15(17,18)19/h5-6,8,10,12,20H,7,9H2,1-4H3.
What are the key properties of 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 367.25 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 65483418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).