N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine

C23H22FN3O2 — CID 67410537

IUPACN-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(F)ccc2Oc2ccc3c(cnn3C)c2)cc1
InChIInChI=1S/C23H22FN3O2/c1-27-22-9-8-21(12-17(22)15-26-27)29-23-10-5-19(24)11-18(23)14-25-13-16-3-6-20(28-2)7-4-16/h3-12,15,25H,13-14H2,1-2H3
InChIKeyPPWGQIPGJSJYKO-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.80
Rot. Bonds7

About N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine

N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 67410537) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID67410537
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(F)ccc2Oc2ccc3c(cnn3C)c2)cc1
InChIInChI=1S/C23H22FN3O2/c1-27-22-9-8-21(12-17(22)15-26-27)29-23-10-5-19(24)11-18(23)14-25-13-16-3-6-20(28-2)7-4-16/h3-12,15,25H,13-14H2,1-2H3
InChIKeyPPWGQIPGJSJYKO-UHFFFAOYSA-N
XLogP4.80
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine (CID 67410537) is N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cc(F)ccc2Oc2ccc3c(cnn3C)c2)cc1.
What is the InChIKey of N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is PPWGQIPGJSJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-27-22-9-8-21(12-17(22)15-26-27)29-23-10-5-19(24)11-18(23)14-25-13-16-3-6-20(28-2)7-4-16/h3-12,15,25H,13-14H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine?
N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 391.45 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(1-methylindazol-5-yl)oxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 67410537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).