2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine

C12H17F3N2 — CID 62315286

IUPAC2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCC(CNc1ccccc1C(F)(F)F)N(C)C
InChIInChI=1S/C12H17F3N2/c1-9(17(2)3)8-16-11-7-5-4-6-10(11)12(13,14)15/h4-7,9,16H,8H2,1-3H3
InChIKeyWUTPEKKIZFFRSQ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.07
Rot. Bonds4

About 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine

2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 62315286) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID62315286
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCC(CNc1ccccc1C(F)(F)F)N(C)C
InChIInChI=1S/C12H17F3N2/c1-9(17(2)3)8-16-11-7-5-4-6-10(11)12(13,14)15/h4-7,9,16H,8H2,1-3H3
InChIKeyWUTPEKKIZFFRSQ-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
CID 106287816
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 62312600
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
3-[[2-(trifluoromethyl)anilino]methyl]pentanoic acid
CID 81067136
N-(5-methylhexyl)-2-(trifluoromethyl)aniline
CID 115326059
N-butyl-N-methyl-2-[2-(trifluoromethyl)anilino]acetamide
CID 109006214
1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106145464
1-N-[2-(trifluoromethyl)phenyl]pentane-1,3-diamine
CID 113498113
3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62853226
1,1-di(butan-2-yl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17284648

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 62315286) is 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine is CC(CNc1ccccc1C(F)(F)F)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is WUTPEKKIZFFRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-9(17(2)3)8-16-11-7-5-4-6-10(11)12(13,14)15/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 246.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 62315286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).