1-(2-methoxyethyl)indol-6-amine;hydrochloride

C11H15ClN2O — CID 71757935

IUPAC1-(2-methoxyethyl)indol-6-amine;hydrochloride
SMILESCOCCn1ccc2ccc(N)cc21.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13;/h2-5,8H,6-7,12H2,1H3;1H
InChIKeyVRLVWUVPQKRPRK-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-methoxyethyl)indol-6-amine;hydrochloride

1-(2-methoxyethyl)indol-6-amine;hydrochloride (PubChem CID 71757935) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(2-methoxyethyl)indol-6-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)indol-6-amine;hydrochloride
PubChem CID71757935
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(2-methoxyethyl)indol-6-amine;hydrochloride
SMILESCOCCn1ccc2ccc(N)cc21.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13;/h2-5,8H,6-7,12H2,1H3;1H
InChIKeyVRLVWUVPQKRPRK-UHFFFAOYSA-N
XLogP2.29
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)indol-6-amine;hydrochloride?
The IUPAC name of 1-(2-methoxyethyl)indol-6-amine;hydrochloride (CID 71757935) is 1-(2-methoxyethyl)indol-6-amine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyethyl)indol-6-amine;hydrochloride?
The canonical SMILES for 1-(2-methoxyethyl)indol-6-amine;hydrochloride is COCCn1ccc2ccc(N)cc21.Cl.
What is the InChIKey of 1-(2-methoxyethyl)indol-6-amine;hydrochloride?
The InChIKey is VRLVWUVPQKRPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13;/h2-5,8H,6-7,12H2,1H3;1H.
What are the key properties of 1-(2-methoxyethyl)indol-6-amine;hydrochloride?
1-(2-methoxyethyl)indol-6-amine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)indol-6-amine;hydrochloride is sourced from PubChem (CID 71757935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).