[4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine

C17H19N3O — CID 167478547

IUPAC[4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine
SMILESCc1nn(C)c2c(OCc3ccc(CN)cc3)cccc12
InChIInChI=1S/C17H19N3O/c1-12-15-4-3-5-16(17(15)20(2)19-12)21-11-14-8-6-13(10-18)7-9-14/h3-9H,10-11,18H2,1-2H3
InChIKeyVWDFIXQETYTBSC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.92
Rot. Bonds4

About [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine

[4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine (PubChem CID 167478547) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine
PubChem CID167478547
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine
SMILESCc1nn(C)c2c(OCc3ccc(CN)cc3)cccc12
InChIInChI=1S/C17H19N3O/c1-12-15-4-3-5-16(17(15)20(2)19-12)21-11-14-8-6-13(10-18)7-9-14/h3-9H,10-11,18H2,1-2H3
InChIKeyVWDFIXQETYTBSC-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-7-(trifluoromethoxy)indazole
CID 133055459
(7-methoxy-1,3-dimethylindazol-5-yl)methanamine
CID 117109848
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
ethane;1,3,7-trimethylindazole
CID 171820763
2-(7-methoxy-3-methylindazol-1-yl)ethanamine
CID 84673302
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686227
[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966353
5-bromo-1-methyl-7-phenylmethoxybenzotriazole
CID 162414576
1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole
CID 82087938
1,3-dimethylindazole-7-carbonitrile
CID 83816263
[1-methyl-2-(naphthalen-1-yloxymethyl)imidazol-4-yl]methanamine
CID 82304830

Frequently Asked Questions

What is the IUPAC name of [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine (CID 167478547) is [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine is Cc1nn(C)c2c(OCc3ccc(CN)cc3)cccc12.
What is the InChIKey of [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine?
The InChIKey is VWDFIXQETYTBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-15-4-3-5-16(17(15)20(2)19-12)21-11-14-8-6-13(10-18)7-9-14/h3-9H,10-11,18H2,1-2H3.
What are the key properties of [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine?
[4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3-dimethylindazol-7-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 167478547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).