N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine

C14H18F2N4 — CID 103587740

IUPACN-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(F)c(-n2cc(CNC(C)(C)C)nn2)cc1F
InChIInChI=1S/C14H18F2N4/c1-9-5-12(16)13(6-11(9)15)20-8-10(18-19-20)7-17-14(2,3)4/h5-6,8,17H,7H2,1-4H3
InChIKeyBZBJTRHOCWPCLV-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.74
Rot. Bonds3

About N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103587740) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID103587740
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC NameN-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(F)c(-n2cc(CNC(C)(C)C)nn2)cc1F
InChIInChI=1S/C14H18F2N4/c1-9-5-12(16)13(6-11(9)15)20-8-10(18-19-20)7-17-14(2,3)4/h5-6,8,17H,7H2,1-4H3
InChIKeyBZBJTRHOCWPCLV-UHFFFAOYSA-N
XLogP2.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 103587741
N-[[1-(2-bromo-5-chloro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 104725463
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206890
N-[[1-(2,6-dibromo-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66206885
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66205851
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107465069
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[[1-(2-bromo-6-chloro-4-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107617556
2-methyl-N-[[1-(3-methyl-4-nitrophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66204679
2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
CID 130309921
N-[[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114349953
N-[[1-(2-chloro-5-nitrophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66204273

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 103587740) is N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1cc(F)c(-n2cc(CNC(C)(C)C)nn2)cc1F.
What is the InChIKey of N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BZBJTRHOCWPCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4/c1-9-5-12(16)13(6-11(9)15)20-8-10(18-19-20)7-17-14(2,3)4/h5-6,8,17H,7H2,1-4H3.
What are the key properties of N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 280.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103587740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).