N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine

C15H13Cl2N3 — CID 59514224

IUPACN-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine
SMILESCn1ncc2ccc(NCc3c(Cl)cccc3Cl)cc21
InChIInChI=1S/C15H13Cl2N3/c1-20-15-7-11(6-5-10(15)8-19-20)18-9-12-13(16)3-2-4-14(12)17/h2-8,18H,9H2,1H3
InChIKeyLJRAELKWBCOKIP-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.49
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine

N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine (PubChem CID 59514224) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine
PubChem CID59514224
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine
SMILESCn1ncc2ccc(NCc3c(Cl)cccc3Cl)cc21
InChIInChI=1S/C15H13Cl2N3/c1-20-15-7-11(6-5-10(15)8-19-20)18-9-12-13(16)3-2-4-14(12)17/h2-8,18H,9H2,1H3
InChIKeyLJRAELKWBCOKIP-UHFFFAOYSA-N
XLogP4.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2H-indazol-6-amine
CID 590220
N-(3,4-dichlorophenyl)-1-(1-methylindazol-5-yl)methanimine
CID 77844772
N-(4-chlorobenzyl)-N'-(1-methyl-1H-indazol-4-yl)urea
CID 22337589
4-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
CID 57397180
1-methyl-1H-indazol-6-amine
CID 840433
N-[(2-Chlorophenyl)methyl]-4-(5-methyl-1H-indazol-1-YL)-4-oxobutanamide
CID 22510178
1-(3-chlorobenzyl)-1H-indazole
CID 20425690
1-(2-chloro-6-fluorobenzyl)-1H-indazole
CID 20425687
N-(2-(4-Chlorophenyl)-2H-indazol-6-yl)isobutyramide
CID 56680244
1H-Indazol-4-amine, 1-methyl-
CID 153838
2,6-Dichloro-4-(3,4-dihydropyrazino[1,2-b]indazol-1-yl)aniline
CID 24979614
1-[(4-Chlorophenyl)methyl]indazole
CID 12312271

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine (CID 59514224) is N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine is Cn1ncc2ccc(NCc3c(Cl)cccc3Cl)cc21.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine?
The InChIKey is LJRAELKWBCOKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-20-15-7-11(6-5-10(15)8-19-20)18-9-12-13(16)3-2-4-14(12)17/h2-8,18H,9H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine?
N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine has a molecular weight of 306.20 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-methylindazol-6-amine is sourced from PubChem (CID 59514224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).