N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine

C13H17FN4O — CID 82810989

IUPACN-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1cccc(OC)c1F
InChIInChI=1S/C13H17FN4O/c1-3-7-15-13(10-8-16-18-17-10)9-5-4-6-11(19-2)12(9)14/h4-6,8,13,15H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyRLRUDIVFTUICDJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.04
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine

N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine (PubChem CID 82810989) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
PubChem CID82810989
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1cccc(OC)c1F
InChIInChI=1S/C13H17FN4O/c1-3-7-15-13(10-8-16-18-17-10)9-5-4-6-11(19-2)12(9)14/h4-6,8,13,15H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyRLRUDIVFTUICDJ-UHFFFAOYSA-N
XLogP2.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine (CID 82810989) is N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine is CCCNC(c1cn[nH]n1)c1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The InChIKey is RLRUDIVFTUICDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-3-7-15-13(10-8-16-18-17-10)9-5-4-6-11(19-2)12(9)14/h4-6,8,13,15H,3,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine has a molecular weight of 264.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 82810989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).