N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine

C11H12ClFN4 — CID 105395319

IUPACN-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn[nH]n1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFN4/c1-2-14-11(10-6-15-17-16-10)8-5-7(13)3-4-9(8)12/h3-6,11,14H,2H2,1H3,(H,15,16,17)
InChIKeyNGYHMXVOSYLNAG-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.30
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine

N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine (PubChem CID 105395319) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
PubChem CID105395319
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn[nH]n1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFN4/c1-2-14-11(10-6-15-17-16-10)8-5-7(13)3-4-9(8)12/h3-6,11,14H,2H2,1H3,(H,15,16,17)
InChIKeyNGYHMXVOSYLNAG-UHFFFAOYSA-N
XLogP2.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-chloro-2-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 106762829
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 105395384
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(2H-triazol-4-yl)methyl]ethanamine
CID 102754825
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708410
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine (CID 105395319) is N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine is CCNC(c1cn[nH]n1)c1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine?
The InChIKey is NGYHMXVOSYLNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-2-14-11(10-6-15-17-16-10)8-5-7(13)3-4-9(8)12/h3-6,11,14H,2H2,1H3,(H,15,16,17).
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine has a molecular weight of 254.70 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105395319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).