2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine

C16H17N3O — CID 62142054

IUPAC2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)n2ncc3ccccc32)cc1
InChIInChI=1S/C16H17N3O/c1-20-14-8-6-12(7-9-14)16(10-17)19-15-5-3-2-4-13(15)11-18-19/h2-9,11,16H,10,17H2,1H3
InChIKeyVGDBZUYWHQQGBI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.59
Rot. Bonds4

About 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine

2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine (PubChem CID 62142054) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine
PubChem CID62142054
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)n2ncc3ccccc32)cc1
InChIInChI=1S/C16H17N3O/c1-20-14-8-6-12(7-9-14)16(10-17)19-15-5-3-2-4-13(15)11-18-19/h2-9,11,16H,10,17H2,1H3
InChIKeyVGDBZUYWHQQGBI-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)-phenylmethyl]indazole
CID 155933783
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
2-indazol-1-yl-2-(3-methylthiophen-2-yl)ethanamine
CID 55041220
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-indazol-1-yl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]propanamide
CID 122175814
2-[2-amino-2-(4-methoxyphenyl)ethyl]phthalazin-1-one
CID 16782663
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
CID 115038406
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263
5-(4-methoxy-4-methylpentoxy)-1-(1-phenylpropyl)indazole
CID 142348409
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine (CID 62142054) is 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine is COc1ccc(C(CN)n2ncc3ccccc32)cc1.
What is the InChIKey of 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is VGDBZUYWHQQGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-14-8-6-12(7-9-14)16(10-17)19-15-5-3-2-4-13(15)11-18-19/h2-9,11,16H,10,17H2,1H3.
What are the key properties of 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine?
2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 62142054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).