(2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine

C22H20ClN3O — CID 155569141

IUPAC(2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine
SMILESCn1nc(O[C@@H](CN)c2ccccc2)c2cc(-c3ccccc3Cl)ccc21
InChIInChI=1S/C22H20ClN3O/c1-26-20-12-11-16(17-9-5-6-10-19(17)23)13-18(20)22(25-26)27-21(14-24)15-7-3-2-4-8-15/h2-13,21H,14,24H2,1H3/t21-/m0/s1
InChIKeyXCRCNOARVDCBJC-NRFANRHFSA-N
MW377.88 g/mol
LogP4.97
Rot. Bonds5

About (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine

(2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine (PubChem CID 155569141) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine
PubChem CID155569141
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name(2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine
SMILESCn1nc(O[C@@H](CN)c2ccccc2)c2cc(-c3ccccc3Cl)ccc21
InChIInChI=1S/C22H20ClN3O/c1-26-20-12-11-16(17-9-5-6-10-19(17)23)13-18(20)22(25-26)27-21(14-24)15-7-3-2-4-8-15/h2-13,21H,14,24H2,1H3/t21-/m0/s1
InChIKeyXCRCNOARVDCBJC-NRFANRHFSA-N
XLogP4.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine?
The IUPAC name of (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine (CID 155569141) is (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine.
What is the SMILES notation for (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine?
The canonical SMILES for (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine is Cn1nc(O[C@@H](CN)c2ccccc2)c2cc(-c3ccccc3Cl)ccc21.
What is the InChIKey of (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine?
The InChIKey is XCRCNOARVDCBJC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20ClN3O/c1-26-20-12-11-16(17-9-5-6-10-19(17)23)13-18(20)22(25-26)27-21(14-24)15-7-3-2-4-8-15/h2-13,21H,14,24H2,1H3/t21-/m0/s1.
What are the key properties of (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine?
(2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine has a molecular weight of 377.88 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(2-chlorophenyl)-1-methylindazol-3-yl]oxy-2-phenylethanamine is sourced from PubChem (CID 155569141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).