N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine

C14H19FN4 — CID 114689894

IUPACN-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine
SMILESCCCn1nncc1-c1ccc(F)c(CNCC)c1
InChIInChI=1S/C14H19FN4/c1-3-7-19-14(10-17-18-19)11-5-6-13(15)12(8-11)9-16-4-2/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyRRCBEFBPNSOCSQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.60
Rot. Bonds6

About N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine

N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine (PubChem CID 114689894) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine
PubChem CID114689894
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine
SMILESCCCn1nncc1-c1ccc(F)c(CNCC)c1
InChIInChI=1S/C14H19FN4/c1-3-7-19-14(10-17-18-19)11-5-6-13(15)12(8-11)9-16-4-2/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyRRCBEFBPNSOCSQ-UHFFFAOYSA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine
CID 114689798
N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine
CID 103131646
4-(3-propyltriazol-4-yl)aniline
CID 82205210
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689873
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine
CID 82222589
3-(3-propyltriazol-4-yl)benzaldehyde
CID 114689705
1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine
CID 114689850
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine (CID 114689894) is N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine is CCCn1nncc1-c1ccc(F)c(CNCC)c1.
What is the InChIKey of N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine?
The InChIKey is RRCBEFBPNSOCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-3-7-19-14(10-17-18-19)11-5-6-13(15)12(8-11)9-16-4-2/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine?
N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine has a molecular weight of 262.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114689894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).