2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine

C16H15Cl2N3 — CID 103126528

IUPAC2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C16H15Cl2N3/c1-21-15-8-3-2-5-10(15)16(20-21)14(19)9-11-12(17)6-4-7-13(11)18/h2-8,14H,9,19H2,1H3
InChIKeyVICGUSAROOVBFL-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.12
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine

2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine (PubChem CID 103126528) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
PubChem CID103126528
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C16H15Cl2N3/c1-21-15-8-3-2-5-10(15)16(20-21)14(19)9-11-12(17)6-4-7-13(11)18/h2-8,14H,9,19H2,1H3
InChIKeyVICGUSAROOVBFL-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126026
2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127460
2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103128466
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127876
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103127544
3-methyl-1-(1-methylindazol-3-yl)hexan-1-amine
CID 103126789

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine (CID 103126528) is 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine is Cn1nc(C(N)Cc2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The InChIKey is VICGUSAROOVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-21-15-8-3-2-5-10(15)16(20-21)14(19)9-11-12(17)6-4-7-13(11)18/h2-8,14H,9,19H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine has a molecular weight of 320.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 103126528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).