N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine

C16H23FN4 — CID 107431534

IUPACN-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine
SMILESCCNC(CC)c1nnn(-c2ccc(F)cc2C)c1CC
InChIInChI=1S/C16H23FN4/c1-5-13(18-7-3)16-14(6-2)21(20-19-16)15-9-8-12(17)10-11(15)4/h8-10,13,18H,5-7H2,1-4H3
InChIKeyMXBNJVHXVMIKHD-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.34
Rot. Bonds6

About N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine

N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine (PubChem CID 107431534) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine
PubChem CID107431534
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine
SMILESCCNC(CC)c1nnn(-c2ccc(F)cc2C)c1CC
InChIInChI=1S/C16H23FN4/c1-5-13(18-7-3)16-14(6-2)21(20-19-16)15-9-8-12(17)10-11(15)4/h8-10,13,18H,5-7H2,1-4H3
InChIKeyMXBNJVHXVMIKHD-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107530955
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522
1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431562
1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431611
1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431574
1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
CID 107431483
1-[1-(2,4-dibromophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431655
1-[1-(2-bromo-5-methylphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431748
1-[1-(3,4-difluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431541
1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736655
1-[1-(4-bromo-5-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431765

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine (CID 107431534) is N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine is CCNC(CC)c1nnn(-c2ccc(F)cc2C)c1CC.
What is the InChIKey of N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine?
The InChIKey is MXBNJVHXVMIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-5-13(18-7-3)16-14(6-2)21(20-19-16)15-9-8-12(17)10-11(15)4/h8-10,13,18H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine?
N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine has a molecular weight of 290.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 107431534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).