2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine

C17H19N3O — CID 103126355

IUPAC2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1nn(C)c2ccccc12
InChIInChI=1S/C17H19N3O/c1-20-15-9-5-4-8-13(15)17(19-20)14(18)11-12-7-3-6-10-16(12)21-2/h3-10,14H,11,18H2,1-2H3
InChIKeyYMEQHZVPTYAOJF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.82
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine

2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine (PubChem CID 103126355) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
PubChem CID103126355
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1nn(C)c2ccccc12
InChIInChI=1S/C17H19N3O/c1-20-15-9-5-4-8-13(15)17(19-20)14(18)11-12-7-3-6-10-16(12)21-2/h3-10,14H,11,18H2,1-2H3
InChIKeyYMEQHZVPTYAOJF-UHFFFAOYSA-N
XLogP2.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127876
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126026
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103127544
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012
3-methyl-1-(1-methylindazol-3-yl)hexan-1-amine
CID 103126789
2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103128466

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine (CID 103126355) is 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine is COc1ccccc1CC(N)c1nn(C)c2ccccc12.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine?
The InChIKey is YMEQHZVPTYAOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20-15-9-5-4-8-13(15)17(19-20)14(18)11-12-7-3-6-10-16(12)21-2/h3-10,14H,11,18H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine?
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 103126355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).