1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine

C14H18F2N4O — CID 103777574

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCn1cnnc1CNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H18F2N4O/c1-3-20-9-18-19-13(20)8-17-10(2)11-5-4-6-12(7-11)21-14(15)16/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyWQECJPNUBZIBRD-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.75
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine

1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 103777574) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID103777574
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCn1cnnc1CNC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H18F2N4O/c1-3-20-9-18-19-13(20)8-17-10(2)11-5-4-6-12(7-11)21-14(15)16/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyWQECJPNUBZIBRD-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103729437
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
1-[3-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79570391
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103777568
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
1-[3-(difluoromethoxy)phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884781
1-[3-(difluoromethoxy)phenyl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759490
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203420
1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014859

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 103777574) is 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCn1cnnc1CNC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is WQECJPNUBZIBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-3-20-9-18-19-13(20)8-17-10(2)11-5-4-6-12(7-11)21-14(15)16/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 296.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103777574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).