6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine

C16H17ClN4 — CID 107490152

IUPAC6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine
SMILESCC(c1cccc(Cl)c1)N(C)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C16H17ClN4/c1-10(11-4-3-5-13(17)6-11)21(2)16-8-15-12(7-14(16)18)9-19-20-15/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyUJTYJYMBRSCCAL-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.00
Rot. Bonds3

About 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine

6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine (PubChem CID 107490152) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine
PubChem CID107490152
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine
SMILESCC(c1cccc(Cl)c1)N(C)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C16H17ClN4/c1-10(11-4-3-5-13(17)6-11)21(2)16-8-15-12(7-14(16)18)9-19-20-15/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyUJTYJYMBRSCCAL-UHFFFAOYSA-N
XLogP4.00
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62980389
2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
CID 103078461
6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 116796862
4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80919266
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
(1R)-1-[2-[1-(3-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941110
4-(aminomethyl)-2-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63087520
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzamide
CID 62979796
5-amino-2-[1-(3-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979618
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine (CID 107490152) is 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine is CC(c1cccc(Cl)c1)N(C)c1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine?
The InChIKey is UJTYJYMBRSCCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10(11-4-3-5-13(17)6-11)21(2)16-8-15-12(7-14(16)18)9-19-20-15/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine?
6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine has a molecular weight of 300.79 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(3-chlorophenyl)ethyl]-6-N-methyl-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).