2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine

C16H16ClN3 — CID 103126026

IUPAC2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C16H16ClN3/c1-20-15-8-3-2-7-13(15)16(19-20)14(18)10-11-5-4-6-12(17)9-11/h2-9,14H,10,18H2,1H3
InChIKeyRNAGEPSSKMRWQJ-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine

2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine (PubChem CID 103126026) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
PubChem CID103126026
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C16H16ClN3/c1-20-15-8-3-2-7-13(15)16(19-20)14(18)10-11-5-4-6-12(17)9-11/h2-9,14H,10,18H2,1H3
InChIKeyRNAGEPSSKMRWQJ-UHFFFAOYSA-N
XLogP3.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103128466
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127876
1-(5-chloro-1-methylindazol-3-yl)propan-1-amine
CID 57140660
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103127544
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(1-methylindazol-3-yl)oct-7-en-1-amine
CID 107012125
2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431437

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine (CID 103126026) is 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine is Cn1nc(C(N)Cc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The InChIKey is RNAGEPSSKMRWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-20-15-8-3-2-7-13(15)16(19-20)14(18)10-11-5-4-6-12(17)9-11/h2-9,14H,10,18H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine has a molecular weight of 285.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 103126026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).