N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine

C14H18F2N4O — CID 63037162

IUPACN-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCOc2cccc(F)c2F)nn1
InChIInChI=1S/C14H18F2N4O/c1-10(2)17-8-11-9-20(19-18-11)6-7-21-13-5-3-4-12(15)14(13)16/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyJZCDVRHRUNUVPY-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.13
Rot. Bonds7

About N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 63037162) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID63037162
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCOc2cccc(F)c2F)nn1
InChIInChI=1S/C14H18F2N4O/c1-10(2)17-8-11-9-20(19-18-11)6-7-21-13-5-3-4-12(15)14(13)16/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyJZCDVRHRUNUVPY-UHFFFAOYSA-N
XLogP2.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-(2-fluorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62454402
N-[[1-[2-(3-bromo-4-fluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 83231400
N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 114934975
N-[[1-[2-(2-chloro-4-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62672051
[1-[2-(2-fluoro-3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 107661287
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]propan-2-amine
CID 66193179
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908318
N-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55076942
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63038557
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
CID 106734742
N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 66192988

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 63037162) is N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCOc2cccc(F)c2F)nn1.
What is the InChIKey of N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is JZCDVRHRUNUVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-10(2)17-8-11-9-20(19-18-11)6-7-21-13-5-3-4-12(15)14(13)16/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 296.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,3-difluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 63037162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).