(1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol

C18H21N3O — CID 125141737

IUPAC(1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol
SMILESCc1cc(C)cc([C@@H](O)CNCc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C18H21N3O/c1-12-5-13(2)7-16(6-12)18(22)11-19-9-14-3-4-15-10-20-21-17(15)8-14/h3-8,10,18-19,22H,9,11H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyCXHPBEYOYSQZRN-SFHVURJKSA-N
MW295.39 g/mol
LogP3.00
Rot. Bonds5

About (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol

(1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol (PubChem CID 125141737) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol
PubChem CID125141737
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol
SMILESCc1cc(C)cc([C@@H](O)CNCc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C18H21N3O/c1-12-5-13(2)7-16(6-12)18(22)11-19-9-14-3-4-15-10-20-21-17(15)8-14/h3-8,10,18-19,22H,9,11H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyCXHPBEYOYSQZRN-SFHVURJKSA-N
XLogP3.00
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol?
The IUPAC name of (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol (CID 125141737) is (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol.
What is the SMILES notation for (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol?
The canonical SMILES for (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol is Cc1cc(C)cc([C@@H](O)CNCc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol?
The InChIKey is CXHPBEYOYSQZRN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-5-13(2)7-16(6-12)18(22)11-19-9-14-3-4-15-10-20-21-17(15)8-14/h3-8,10,18-19,22H,9,11H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol?
(1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol has a molecular weight of 295.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dimethylphenyl)-2-(1H-indazol-6-ylmethylamino)ethanol is sourced from PubChem (CID 125141737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).