N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine

C16H23FN4 — CID 79434158

IUPACN-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1ncnc1CC(CNCC)c1ccccc1F
InChIInChI=1S/C16H23FN4/c1-3-9-21-16(19-12-20-21)10-13(11-18-4-2)14-7-5-6-8-15(14)17/h5-8,12-13,18H,3-4,9-11H2,1-2H3
InChIKeyMZJYNCQTNDIRJC-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.76
Rot. Bonds8

About N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine

N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 79434158) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID79434158
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1ncnc1CC(CNCC)c1ccccc1F
InChIInChI=1S/C16H23FN4/c1-3-9-21-16(19-12-20-21)10-13(11-18-4-2)14-7-5-6-8-15(14)17/h5-8,12-13,18H,3-4,9-11H2,1-2H3
InChIKeyMZJYNCQTNDIRJC-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79421253
1-(2,3-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003143
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871545
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319144
1-(2-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003291
1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002993
[1-(3-fluoro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105257926
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014723
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine (CID 79434158) is N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine is CCCn1ncnc1CC(CNCC)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is MZJYNCQTNDIRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-3-9-21-16(19-12-20-21)10-13(11-18-4-2)14-7-5-6-8-15(14)17/h5-8,12-13,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 290.39 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 79434158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).