N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C15H22BrF3N2 — CID 115511431

IUPACN-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1ccc(C(F)(F)F)cc1Br)C(C)C
InChIInChI=1S/C15H22BrF3N2/c1-10(2)21(11(3)4)8-7-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyNGLFKYVOSRWHQA-UHFFFAOYSA-N
MW367.25 g/mol
LogP5.00
Rot. Bonds6

About N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 115511431) has the molecular formula C15H22BrF3N2 and a molecular weight of 367.25 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID115511431
Molecular FormulaC15H22BrF3N2
Molecular Weight367.25 g/mol
Exact Mass366.09
IUPAC NameN-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNc1ccc(C(F)(F)F)cc1Br)C(C)C
InChIInChI=1S/C15H22BrF3N2/c1-10(2)21(11(3)4)8-7-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyNGLFKYVOSRWHQA-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107303431
N-[2-bromo-4-(trifluoromethyl)phenyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 115511638
2-bromo-N-(3-methylbutyl)-4-(trifluoromethyl)aniline
CID 115511441
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 115511456
2-bromo-4-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)aniline
CID 83144259
N'-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpentane-1,5-diamine
CID 106155250
2-bromo-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)aniline
CID 56636672
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
CID 113325985
2-bromo-4-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 115520630
2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline
CID 115511646
2-bromo-N-(4-methylpentyl)-5-(trifluoromethyl)aniline
CID 114042779
2-bromo-N-hex-5-ynyl-4-(trifluoromethyl)aniline
CID 106214514

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 115511431) is N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNc1ccc(C(F)(F)F)cc1Br)C(C)C.
What is the InChIKey of N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is NGLFKYVOSRWHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF3N2/c1-10(2)21(11(3)4)8-7-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9-11,20H,7-8H2,1-4H3.
What are the key properties of N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 367.25 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115511431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).