N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

C14H18F2N4 — CID 66193617

IUPACN-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(Cc2ccc(F)cc2F)nn1
InChIInChI=1S/C14H18F2N4/c1-14(2,3)17-7-12-9-20(19-18-12)8-10-4-5-11(15)6-13(10)16/h4-6,9,17H,7-8H2,1-3H3
InChIKeySDFAYCLLDQDIDN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.49
Rot. Bonds4

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

N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66193617) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66193617
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC NameN-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(Cc2ccc(F)cc2F)nn1
InChIInChI=1S/C14H18F2N4/c1-14(2,3)17-7-12-9-20(19-18-12)8-10-4-5-11(15)6-13(10)16/h4-6,9,17H,7-8H2,1-3H3
InChIKeySDFAYCLLDQDIDN-UHFFFAOYSA-N
XLogP2.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114349953
N-[[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193808
4-(2-chloroethyl)-1-[(2,4-difluorophenyl)methyl]triazole
CID 62400097
N-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 83182735
N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 64561231
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
1-benzyl-N-[(2,4-difluorophenyl)methyl]triazol-4-amine
CID 99801759
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-[(1-tert-butyltriazol-4-yl)methyl]-2,4-difluoroaniline
CID 103398549
5-[(tert-butylamino)methyl]-N-[(2,4-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960385
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 102879879

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66193617) is N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn(Cc2ccc(F)cc2F)nn1.
What is the InChIKey of N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SDFAYCLLDQDIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4/c1-14(2,3)17-7-12-9-20(19-18-12)8-10-4-5-11(15)6-13(10)16/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 280.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66193617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).