2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine

C18H21N3O — CID 11243390

IUPAC2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine
SMILESCCOc1c(-c2ccc(C(C)(C)N)cc2)ccc2[nH]ncc12
InChIInChI=1S/C18H21N3O/c1-4-22-17-14(9-10-16-15(17)11-20-21-16)12-5-7-13(8-6-12)18(2,3)19/h5-11H,4,19H2,1-3H3,(H,20,21)
InChIKeyJSEFJAOPXMQGGN-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.82
Rot. Bonds4

About 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine

2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine (PubChem CID 11243390) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine
PubChem CID11243390
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine
SMILESCCOc1c(-c2ccc(C(C)(C)N)cc2)ccc2[nH]ncc12
InChIInChI=1S/C18H21N3O/c1-4-22-17-14(9-10-16-15(17)11-20-21-16)12-5-7-13(8-6-12)18(2,3)19/h5-11H,4,19H2,1-3H3,(H,20,21)
InChIKeyJSEFJAOPXMQGGN-UHFFFAOYSA-N
XLogP3.82
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol
CID 11173952
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
CID 23134481
3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride
CID 23134608
N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide
CID 23134486
2-[6-[4-(cyclopropylmethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine
CID 11163064
2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134569
2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134645
3-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine
CID 54669968
[4-(4-nitroso-1H-indazol-5-yl)phenyl]methanamine
CID 88853431
4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
CID 139474826
2-(4-perylen-3-ylphenyl)propan-2-amine
CID 88882788
2-[4-[5-[(E)-ethoxyiminomethyl]isoquinolin-6-yl]phenyl]propan-2-amine
CID 11209807

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine (CID 11243390) is 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine is CCOc1c(-c2ccc(C(C)(C)N)cc2)ccc2[nH]ncc12.
What is the InChIKey of 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine?
The InChIKey is JSEFJAOPXMQGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-22-17-14(9-10-16-15(17)11-20-21-16)12-5-7-13(8-6-12)18(2,3)19/h5-11H,4,19H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine?
2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine is sourced from PubChem (CID 11243390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).