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

C12H17F3N2 — CID 150499557

IUPAC2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
SMILESCC(C)(CN)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-11(2,8-16)17-7-9-5-3-4-6-10(9)12(13,14)15/h3-6,17H,7-8,16H2,1-2H3
InChIKeyHXNDKKBZNRZUHM-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.53
Rot. Bonds4

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

2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine (PubChem CID 150499557) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
PubChem CID150499557
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
SMILESCC(C)(CN)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-11(2,8-16)17-7-9-5-3-4-6-10(9)12(13,14)15/h3-6,17H,7-8,16H2,1-2H3
InChIKeyHXNDKKBZNRZUHM-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
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N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
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2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
2-methyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
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N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115279415
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879952
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine (CID 150499557) is 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine is CC(C)(CN)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine?
The InChIKey is HXNDKKBZNRZUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-11(2,8-16)17-7-9-5-3-4-6-10(9)12(13,14)15/h3-6,17H,7-8,16H2,1-2H3.
What are the key properties of 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine?
2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine has a molecular weight of 246.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 150499557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).