(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine

C10H13F3N2 — CID 104868200

IUPAC(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine
SMILESC[C@H](CN)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C10H13F3N2/c1-6(4-14)15-5-8-9(12)2-7(11)3-10(8)13/h2-3,6,15H,4-5,14H2,1H3/t6-/m1/s1
InChIKeyNIPXLSPIUFQUOD-ZCFIWIBFSA-N
MW218.22 g/mol
LogP1.54
Rot. Bonds4

About (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine

(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine (PubChem CID 104868200) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine
PubChem CID104868200
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine
SMILESC[C@H](CN)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C10H13F3N2/c1-6(4-14)15-5-8-9(12)2-7(11)3-10(8)13/h2-3,6,15H,4-5,14H2,1H3/t6-/m1/s1
InChIKeyNIPXLSPIUFQUOD-ZCFIWIBFSA-N
XLogP1.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
CID 104868033
(2R)-2-N-[(4-chloro-2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104867950
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine
CID 104867583
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
CID 104868163
2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
3-[(4-cyano-2,6-difluorophenyl)methylamino]butanamide
CID 107038987
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine (CID 104868200) is (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine is C[C@H](CN)NCc1c(F)cc(F)cc1F.
What is the InChIKey of (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine?
The InChIKey is NIPXLSPIUFQUOD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6(4-14)15-5-8-9(12)2-7(11)3-10(8)13/h2-3,6,15H,4-5,14H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine has a molecular weight of 218.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).