(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine

C21H21N3 — CID 165122749

IUPAC(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C21H21N3/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)24(2)14-16-10-11-18-13-22-23-21(18)12-16/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyZGLGHOKSBPMQAX-OAHLLOKOSA-N
MW315.42 g/mol
LogP4.91
Rot. Bonds4

About (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine

(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine (PubChem CID 165122749) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
PubChem CID165122749
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C21H21N3/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)24(2)14-16-10-11-18-13-22-23-21(18)12-16/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyZGLGHOKSBPMQAX-OAHLLOKOSA-N
XLogP4.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine (CID 165122749) is (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine is C[C@H](c1cccc2ccccc12)N(C)Cc1ccc2cn[nH]c2c1.
What is the InChIKey of (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine?
The InChIKey is ZGLGHOKSBPMQAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3/c1-15(19-9-5-7-17-6-3-4-8-20(17)19)24(2)14-16-10-11-18-13-22-23-21(18)12-16/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-naphthalen-1-ylethanamine?
(1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine has a molecular weight of 315.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1H-indazol-6-ylmethyl)-N-methyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 165122749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).