N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine

C17H19N3O2 — CID 59778805

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine
SMILESCOc1cc(CNc2ccc3nn(C)cc3c2)cc(OC)c1
InChIInChI=1S/C17H19N3O2/c1-20-11-13-8-14(4-5-17(13)19-20)18-10-12-6-15(21-2)9-16(7-12)22-3/h4-9,11,18H,10H2,1-3H3
InChIKeyFEGUXONDDLFQSD-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.20
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine

N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine (PubChem CID 59778805) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine
PubChem CID59778805
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine
SMILESCOc1cc(CNc2ccc3nn(C)cc3c2)cc(OC)c1
InChIInChI=1S/C17H19N3O2/c1-20-11-13-8-14(4-5-17(13)19-20)18-10-12-6-15(21-2)9-16(7-12)22-3/h4-9,11,18H,10H2,1-3H3
InChIKeyFEGUXONDDLFQSD-UHFFFAOYSA-N
XLogP3.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
N-[(2,4-dichlorophenyl)methyl]-2-methylindazol-5-amine
CID 59514276
N-[(4-chlorophenyl)methyl]-2-methylindazol-6-amine
CID 59778810
2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928974
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
CID 79480562
N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
CID 29030576
N-[(4-chloro-2-nitrophenyl)methyl]-2-methylindazol-5-amine
CID 59778801
N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
CID 82539031
N-[(2,6-dichlorophenyl)methyl]-2-methylindazol-6-amine
CID 59778785
5-tert-butyl-2-methylindazole
CID 68930740
tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
CID 155896192
3-(1H-benzimidazol-2-yl)-4-chloro-N-[(3,5-dimethoxyphenyl)methyl]aniline
CID 70967023

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine (CID 59778805) is N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine is COc1cc(CNc2ccc3nn(C)cc3c2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine?
The InChIKey is FEGUXONDDLFQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20-11-13-8-14(4-5-17(13)19-20)18-10-12-6-15(21-2)9-16(7-12)22-3/h4-9,11,18H,10H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine?
N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine has a molecular weight of 297.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine is sourced from PubChem (CID 59778805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).