N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine

C17H19N3O — CID 60931875

IUPACN-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine
SMILESCCOc1ccc(C(C)Nc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C17H19N3O/c1-3-21-14-9-7-13(8-10-14)12(2)19-16-5-4-6-17-15(16)11-18-20-17/h4-12,19H,3H2,1-2H3,(H,18,20)
InChIKeyLFVAKQQTFICBRD-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.13
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine

N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine (PubChem CID 60931875) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine
PubChem CID60931875
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine
SMILESCCOc1ccc(C(C)Nc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C17H19N3O/c1-3-21-14-9-7-13(8-10-14)12(2)19-16-5-4-6-17-15(16)11-18-20-17/h4-12,19H,3H2,1-2H3,(H,18,20)
InChIKeyLFVAKQQTFICBRD-UHFFFAOYSA-N
XLogP4.13
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-3-ylethyl)-1H-indazol-4-amine
CID 54865736
3-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-methylaniline
CID 107630164
N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
CID 64992997
N-[1-(4-ethoxyphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715912
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 55203039
(2S)-2-(1H-indazol-4-ylamino)propanoic acid
CID 175797922
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
CID 107597432
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
N-(1H-indazol-4-yl)propanamide
CID 61035756
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine (CID 60931875) is N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine is CCOc1ccc(C(C)Nc2cccc3[nH]ncc23)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine?
The InChIKey is LFVAKQQTFICBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-21-14-9-7-13(8-10-14)12(2)19-16-5-4-6-17-15(16)11-18-20-17/h4-12,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine?
N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-1H-indazol-4-amine is sourced from PubChem (CID 60931875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).