[2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine

C18H21N3O — CID 71027778

IUPAC[2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine
SMILESCC(C)Cn1ncc2cc(Oc3ccccc3CN)ccc21
InChIInChI=1S/C18H21N3O/c1-13(2)12-21-17-8-7-16(9-15(17)11-20-21)22-18-6-4-3-5-14(18)10-19/h3-9,11,13H,10,12,19H2,1-2H3
InChIKeyUPHHWICSMUPODR-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.94
Rot. Bonds5

About [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine

[2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine (PubChem CID 71027778) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine
PubChem CID71027778
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine
SMILESCC(C)Cn1ncc2cc(Oc3ccccc3CN)ccc21
InChIInChI=1S/C18H21N3O/c1-13(2)12-21-17-8-7-16(9-15(17)11-20-21)22-18-6-4-3-5-14(18)10-19/h3-9,11,13H,10,12,19H2,1-2H3
InChIKeyUPHHWICSMUPODR-UHFFFAOYSA-N
XLogP3.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylphenoxy)-1-(2-methylpropyl)indazole
CID 71027760
(2-naphthalen-2-yloxyphenyl)methanamine
CID 19627401
2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride
CID 68781596
5-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)indazole
CID 67411375
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
N-[(2S)-4-amino-1-hydroxybutan-2-yl]-5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carboxamide
CID 69113789
N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine
CID 67413957
4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]methyl]butanoic acid
CID 174498817
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
6-[2-(aminomethyl)phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
CID 135369391
(R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol
CID 99644922
[2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622066

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine?
The IUPAC name of [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine (CID 71027778) is [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine.
What is the SMILES notation for [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine?
The canonical SMILES for [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine is CC(C)Cn1ncc2cc(Oc3ccccc3CN)ccc21.
What is the InChIKey of [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine?
The InChIKey is UPHHWICSMUPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)12-21-17-8-7-16(9-15(17)11-20-21)22-18-6-4-3-5-14(18)10-19/h3-9,11,13H,10,12,19H2,1-2H3.
What are the key properties of [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine?
[2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine has a molecular weight of 295.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine is sourced from PubChem (CID 71027778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).