2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride

C12H17ClN2 — CID 18702258

IUPAC2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCc1ccc(C)c2c(CCN)c[nH]c12.Cl
InChIInChI=1S/C12H16N2.ClH/c1-8-3-4-9(2)12-11(8)10(5-6-13)7-14-12;/h3-4,7,14H,5-6,13H2,1-2H3;1H
InChIKeyNIGYGQRFPRILFF-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.71
Rot. Bonds2

About 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride

2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 18702258) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID18702258
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCc1ccc(C)c2c(CCN)c[nH]c12.Cl
InChIInChI=1S/C12H16N2.ClH/c1-8-3-4-9(2)12-11(8)10(5-6-13)7-14-12;/h3-4,7,14H,5-6,13H2,1-2H3;1H
InChIKeyNIGYGQRFPRILFF-UHFFFAOYSA-N
XLogP2.71
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride (CID 18702258) is 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride is Cc1ccc(C)c2c(CCN)c[nH]c12.Cl.
What is the InChIKey of 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is NIGYGQRFPRILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c1-8-3-4-9(2)12-11(8)10(5-6-13)7-14-12;/h3-4,7,14H,5-6,13H2,1-2H3;1H.
What are the key properties of 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride?
2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 18702258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).