N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine

C14H21N3O — CID 168946674

IUPACN,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine
SMILESCCN(CC)CCc1[nH]nc2ccc(OC)cc12
InChIInChI=1S/C14H21N3O/c1-4-17(5-2)9-8-14-12-10-11(18-3)6-7-13(12)15-16-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyMKZGERMXGVVRAQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds6

About N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine

N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine (PubChem CID 168946674) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine
PubChem CID168946674
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine
SMILESCCN(CC)CCc1[nH]nc2ccc(OC)cc12
InChIInChI=1S/C14H21N3O/c1-4-17(5-2)9-8-14-12-10-11(18-3)6-7-13(12)15-16-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyMKZGERMXGVVRAQ-UHFFFAOYSA-N
XLogP2.46
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine (CID 168946674) is N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine is CCN(CC)CCc1[nH]nc2ccc(OC)cc12.
What is the InChIKey of N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine?
The InChIKey is MKZGERMXGVVRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-17(5-2)9-8-14-12-10-11(18-3)6-7-13(12)15-16-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine?
N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine is sourced from PubChem (CID 168946674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).