1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine

C16H15Cl2N3 — CID 81494685

IUPAC1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(CC(N)c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H15Cl2N3/c1-21-16-5-3-2-4-11(16)15(20-21)9-14(19)10-6-7-12(17)13(18)8-10/h2-8,14H,9,19H2,1H3
InChIKeyPJOHANZRMKQIID-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.12
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine

1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine (PubChem CID 81494685) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
PubChem CID81494685
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(CC(N)c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H15Cl2N3/c1-21-16-5-3-2-4-11(16)15(20-21)9-14(19)10-6-7-12(17)13(18)8-10/h2-8,14H,9,19H2,1H3
InChIKeyPJOHANZRMKQIID-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923576
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107968554
2-(1-methylindazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105161433
3-[3-chloro-2-(2-chlorophenyl)propyl]-1-methylindazole
CID 79437567
3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole
CID 79433711
2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431437
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528
[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105318206
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
CID 116719859

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine (CID 81494685) is 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine is Cn1nc(CC(N)c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine?
The InChIKey is PJOHANZRMKQIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-21-16-5-3-2-4-11(16)15(20-21)9-14(19)10-6-7-12(17)13(18)8-10/h2-8,14H,9,19H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine?
1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine has a molecular weight of 320.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 81494685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).