N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine

C20H25N3O2 — CID 147717403

IUPACN-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1[nH]nc2ccc(Oc3ccc(OC)cc3)cc12
InChIInChI=1S/C20H25N3O2/c1-4-5-12-23(2)14-20-18-13-17(10-11-19(18)21-22-20)25-16-8-6-15(24-3)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,22)
InChIKeyGVXBOLZHMIZZEH-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.60
Rot. Bonds8

About N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine

N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine (PubChem CID 147717403) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine
PubChem CID147717403
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1[nH]nc2ccc(Oc3ccc(OC)cc3)cc12
InChIInChI=1S/C20H25N3O2/c1-4-5-12-23(2)14-20-18-13-17(10-11-19(18)21-22-20)25-16-8-6-15(24-3)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,22)
InChIKeyGVXBOLZHMIZZEH-UHFFFAOYSA-N
XLogP4.60
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(4-ethynylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine
CID 158690966
N-[[5-(3-methoxypropoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(3-methylbutoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[(5-phenoxy-2H-indazol-3-yl)methyl]butan-1-amine;N-methyl-N-[[5-(2-phenylethoxy)-2H-indazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(1-phenylpropan-2-yloxy)-2H-indazol-3-yl]methyl]butan-1-amine
CID 157258007
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 70714676
5-(4-methoxyphenoxy)indene-1,2,3-trione
CID 58803270
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide
CID 57230790
N-butyl-6-methoxy-N-methylquinazolin-4-amine
CID 21002840
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
1-[4-[[3-[[butyl(methyl)amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]ethanone;N-[[5-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine;N-[3-[[3-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-indazol-5-yl]oxymethyl]phenyl]acetamide
CID 158871339
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine (CID 147717403) is N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1[nH]nc2ccc(Oc3ccc(OC)cc3)cc12.
What is the InChIKey of N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is GVXBOLZHMIZZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-5-12-23(2)14-20-18-13-17(10-11-19(18)21-22-20)25-16-8-6-15(24-3)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,22).
What are the key properties of N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine?
N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 339.44 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenoxy)-2H-indazol-3-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 147717403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).