N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine

C13H18F2N4 — CID 155953082

IUPACN'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cccc2cn[nH]c12)CC(F)F
InChIInChI=1S/C13H18F2N4/c1-19(9-12(14)15)6-5-16-7-10-3-2-4-11-8-17-18-13(10)11/h2-4,8,12,16H,5-7,9H2,1H3,(H,17,18)
InChIKeyUYYWCXALFJKFRE-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.85
Rot. Bonds7

About N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine

N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 155953082) has the molecular formula C13H18F2N4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID155953082
Molecular FormulaC13H18F2N4
Molecular Weight268.31 g/mol
Exact Mass268.15
IUPAC NameN'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cccc2cn[nH]c12)CC(F)F
InChIInChI=1S/C13H18F2N4/c1-19(9-12(14)15)6-5-16-7-10-3-2-4-11-8-17-18-13(10)11/h2-4,8,12,16H,5-7,9H2,1H3,(H,17,18)
InChIKeyUYYWCXALFJKFRE-UHFFFAOYSA-N
XLogP1.85
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733
2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide
CID 75377637
7-(2-methylpropyl)-1H-indazole
CID 167194868
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
CID 111969470
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine
CID 75377636
N-(1H-indazol-7-ylmethyl)cyclopropanamine
CID 115678445
1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
CID 111969339
1-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-(1H-indazol-7-ylmethyl)methanamine
CID 99814841
1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 111969416

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine (CID 155953082) is N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCc1cccc2cn[nH]c12)CC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is UYYWCXALFJKFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4/c1-19(9-12(14)15)6-5-16-7-10-3-2-4-11-8-17-18-13(10)11/h2-4,8,12,16H,5-7,9H2,1H3,(H,17,18).
What are the key properties of N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 268.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 155953082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).