2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine

C12H16ClN3 — CID 84727595

IUPAC2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine
SMILESCC(C)n1nc2cccc(Cl)c2c1CCN
InChIInChI=1S/C12H16ClN3/c1-8(2)16-11(6-7-14)12-9(13)4-3-5-10(12)15-16/h3-5,8H,6-7,14H2,1-2H3
InChIKeyDTWPMFDWPVHWQY-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine

2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine (PubChem CID 84727595) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine
PubChem CID84727595
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine
SMILESCC(C)n1nc2cccc(Cl)c2c1CCN
InChIInChI=1S/C12H16ClN3/c1-8(2)16-11(6-7-14)12-9(13)4-3-5-10(12)15-16/h3-5,8H,6-7,14H2,1-2H3
InChIKeyDTWPMFDWPVHWQY-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-2-propan-2-ylindazol-5-ol
CID 84724516
(7-chloro-2-propan-2-ylindazol-3-yl)methanamine
CID 84725346
2-(3,4-dichloroindazol-2-yl)ethanamine
CID 84726220
1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine
CID 84724778
3,4-dichloro-2-ethylindazole
CID 84723697
(7-chloro-2-propan-2-ylindazol-3-yl)methanol
CID 84725616
(5-chloro-2-propan-2-ylindazol-3-yl)methanol
CID 84725614
1-(4-chloro-2-ethylindazol-3-yl)-N-methylmethanamine
CID 84725341
4-fluoro-2-propan-2-ylindazole-3-carbonitrile
CID 84721558
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
2-(4-chloro-1-propan-2-ylpyrazol-3-yl)ethanamine
CID 83876858
3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine (CID 84727595) is 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine is CC(C)n1nc2cccc(Cl)c2c1CCN.
What is the InChIKey of 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine?
The InChIKey is DTWPMFDWPVHWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8(2)16-11(6-7-14)12-9(13)4-3-5-10(12)15-16/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine?
2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine has a molecular weight of 237.73 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine is sourced from PubChem (CID 84727595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).