2,3,7-trimethyl-1H-indol-4-amine;hydrochloride

C11H15ClN2 — CID 67973093

IUPAC2,3,7-trimethyl-1H-indol-4-amine;hydrochloride
SMILESCc1[nH]c2c(C)ccc(N)c2c1C.Cl
InChIInChI=1S/C11H14N2.ClH/c1-6-4-5-9(12)10-7(2)8(3)13-11(6)10;/h4-5,13H,12H2,1-3H3;1H
InChIKeyXWQWLCSPPYWGGX-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.10
Rot. Bonds

About 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride

2,3,7-trimethyl-1H-indol-4-amine;hydrochloride (PubChem CID 67973093) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride.

Molecular Properties

Compound Name2,3,7-trimethyl-1H-indol-4-amine;hydrochloride
PubChem CID67973093
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2,3,7-trimethyl-1H-indol-4-amine;hydrochloride
SMILESCc1[nH]c2c(C)ccc(N)c2c1C.Cl
InChIInChI=1S/C11H14N2.ClH/c1-6-4-5-9(12)10-7(2)8(3)13-11(6)10;/h4-5,13H,12H2,1-3H3;1H
InChIKeyXWQWLCSPPYWGGX-UHFFFAOYSA-N
XLogP3.10
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride?
The IUPAC name of 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride (CID 67973093) is 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride.
What is the SMILES notation for 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride?
The canonical SMILES for 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride is Cc1[nH]c2c(C)ccc(N)c2c1C.Cl.
What is the InChIKey of 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride?
The InChIKey is XWQWLCSPPYWGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.ClH/c1-6-4-5-9(12)10-7(2)8(3)13-11(6)10;/h4-5,13H,12H2,1-3H3;1H.
What are the key properties of 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride?
2,3,7-trimethyl-1H-indol-4-amine;hydrochloride has a molecular weight of 210.71 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyl-1H-indol-4-amine;hydrochloride is sourced from PubChem (CID 67973093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).