N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

C14H18F2N4O — CID 79883132

IUPACN-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(OCc2ncnn2C)c(F)c1
InChIInChI=1S/C14H18F2N4O/c1-9(2)17-6-10-4-11(15)14(12(16)5-10)21-7-13-18-8-19-20(13)3/h4-5,8-9,17H,6-7H2,1-3H3
InChIKeyPMOXKABSEXZCHZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.17
Rot. Bonds6

About N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 79883132) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID79883132
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(OCc2ncnn2C)c(F)c1
InChIInChI=1S/C14H18F2N4O/c1-9(2)17-6-10-4-11(15)14(12(16)5-10)21-7-13-18-8-19-20(13)3/h4-5,8-9,17H,6-7H2,1-3H3
InChIKeyPMOXKABSEXZCHZ-UHFFFAOYSA-N
XLogP2.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-bromo-3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115961396
N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 79892023
1-[4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891622
N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 107688885
5-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79888041
2-[3,5-difluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79881908
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
N-[[3,5-difluoro-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
CID 79891870
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 115955140
N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 79892106

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (CID 79883132) is N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)c(OCc2ncnn2C)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is PMOXKABSEXZCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-9(2)17-6-10-4-11(15)14(12(16)5-10)21-7-13-18-8-19-20(13)3/h4-5,8-9,17H,6-7H2,1-3H3.
What are the key properties of N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 296.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 79883132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).