3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine

C11H12Cl2N2 — CID 83868222

IUPAC3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine
SMILESNCCCc1cc2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C11H12Cl2N2/c12-8-4-7-5-9(2-1-3-14)15-11(7)10(13)6-8/h4-6,15H,1-3,14H2
InChIKeyFAPHMFKFEIPIDI-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.37
Rot. Bonds3

About 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine

3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine (PubChem CID 83868222) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine
PubChem CID83868222
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine
SMILESNCCCc1cc2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C11H12Cl2N2/c12-8-4-7-5-9(2-1-3-14)15-11(7)10(13)6-8/h4-6,15H,1-3,14H2
InChIKeyFAPHMFKFEIPIDI-UHFFFAOYSA-N
XLogP3.37
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine?
The IUPAC name of 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine (CID 83868222) is 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine is NCCCc1cc2cc(Cl)cc(Cl)c2[nH]1.
What is the InChIKey of 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine?
The InChIKey is FAPHMFKFEIPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c12-8-4-7-5-9(2-1-3-14)15-11(7)10(13)6-8/h4-6,15H,1-3,14H2.
What are the key properties of 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine?
3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine has a molecular weight of 243.14 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine is sourced from PubChem (CID 83868222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).