[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine

C16H16FN3O — CID 115952034

IUPAC[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine
SMILESCn1nc(COc2c(F)cccc2CN)c2ccccc21
InChIInChI=1S/C16H16FN3O/c1-20-15-8-3-2-6-12(15)14(19-20)10-21-16-11(9-18)5-4-7-13(16)17/h2-8H,9-10,18H2,1H3
InChIKeyJXIMFPCNEUBRTB-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.75
Rot. Bonds4

About [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine

[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 115952034) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine
PubChem CID115952034
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine
SMILESCn1nc(COc2c(F)cccc2CN)c2ccccc21
InChIInChI=1S/C16H16FN3O/c1-20-15-8-3-2-6-12(15)14(19-20)10-21-16-11(9-18)5-4-7-13(16)17/h2-8H,9-10,18H2,1H3
InChIKeyJXIMFPCNEUBRTB-UHFFFAOYSA-N
XLogP2.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde
CID 115955824
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608173
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
CID 79800388
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092
[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608155
2-(1-methylindazol-3-yl)acetamide
CID 67465474
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
[3-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 112608169
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine (CID 115952034) is [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine is Cn1nc(COc2c(F)cccc2CN)c2ccccc21.
What is the InChIKey of [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is JXIMFPCNEUBRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-20-15-8-3-2-6-12(15)14(19-20)10-21-16-11(9-18)5-4-7-13(16)17/h2-8H,9-10,18H2,1H3.
What are the key properties of [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine?
[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 115952034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).