2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine

C16H15ClFN3 — CID 103128466

IUPAC2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H15ClFN3/c1-21-15-5-3-2-4-11(15)16(20-21)14(19)9-10-6-7-13(18)12(17)8-10/h2-8,14H,9,19H2,1H3
InChIKeySHQRWGSUGUIZMP-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.61
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine (PubChem CID 103128466) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
PubChem CID103128466
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H15ClFN3/c1-21-15-5-3-2-4-11(15)16(20-21)14(19)9-10-6-7-13(18)12(17)8-10/h2-8,14H,9,19H2,1H3
InChIKeySHQRWGSUGUIZMP-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126026
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127876
2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127460
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103042987
2-(3-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128465
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
1-(5-chloro-1-methylindazol-3-yl)propan-1-amine
CID 57140660
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine (CID 103128466) is 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine is Cn1nc(C(N)Cc2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The InChIKey is SHQRWGSUGUIZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-21-15-5-3-2-4-11(15)16(20-21)14(19)9-10-6-7-13(18)12(17)8-10/h2-8,14H,9,19H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine has a molecular weight of 303.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 103128466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).