(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine

C21H21N3S — CID 177380687

IUPAC(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine
SMILESC[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C21H21N3S/c1-15(17-5-3-6-18(12-17)21-7-4-10-25-21)24(2)14-16-8-9-19-13-22-23-20(19)11-16/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyXWQKMDHILPYXTI-OAHLLOKOSA-N
MW347.49 g/mol
LogP5.48
Rot. Bonds5

About (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine

(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine (PubChem CID 177380687) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine
PubChem CID177380687
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC Name(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine
SMILESC[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C21H21N3S/c1-15(17-5-3-6-18(12-17)21-7-4-10-25-21)24(2)14-16-8-9-19-13-22-23-20(19)11-16/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyXWQKMDHILPYXTI-OAHLLOKOSA-N
XLogP5.48
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine?
The IUPAC name of (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine (CID 177380687) is (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine?
The canonical SMILES for (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine is C[C@H](c1cccc(-c2cccs2)c1)N(C)Cc1ccc2cn[nH]c2c1.
What is the InChIKey of (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine?
The InChIKey is XWQKMDHILPYXTI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3S/c1-15(17-5-3-6-18(12-17)21-7-4-10-25-21)24(2)14-16-8-9-19-13-22-23-20(19)11-16/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine?
(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine has a molecular weight of 347.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-(3-thiophen-2-ylphenyl)ethanamine is sourced from PubChem (CID 177380687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).