2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine

C15H22FN5 — CID 62436258

IUPAC2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
SMILESCCNCc1cn(CCN(C)Cc2ccccc2F)nn1
InChIInChI=1S/C15H22FN5/c1-3-17-10-14-12-21(19-18-14)9-8-20(2)11-13-6-4-5-7-15(13)16/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyODAQLXVHYZPEKX-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.66
Rot. Bonds8

About 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine

2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 62436258) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
PubChem CID62436258
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
SMILESCCNCc1cn(CCN(C)Cc2ccccc2F)nn1
InChIInChI=1S/C15H22FN5/c1-3-17-10-14-12-21(19-18-14)9-8-20(2)11-13-6-4-5-7-15(13)16/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyODAQLXVHYZPEKX-UHFFFAOYSA-N
XLogP1.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62417286
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
N-[[6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906229
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
N-[[1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62428469
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112665709
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N-[[1-[2-(benzotriazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62448371

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine (CID 62436258) is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine is CCNCc1cn(CCN(C)Cc2ccccc2F)nn1.
What is the InChIKey of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is ODAQLXVHYZPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5/c1-3-17-10-14-12-21(19-18-14)9-8-20(2)11-13-6-4-5-7-15(13)16/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine?
2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 291.37 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 62436258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).