bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride

C22H29ClN4 — CID 169440945

IUPACbis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
SMILESCc1[nH]c2ccccc2c1CCN.Cc1[nH]c2ccccc2c1CCN.Cl
InChIInChI=1S/2C11H14N2.ClH/c2*1-8-9(6-7-12)10-4-2-3-5-11(10)13-8;/h2*2-5,13H,6-7,12H2,1H3;1H
InChIKeyOPCJPHLQPOCVCX-UHFFFAOYSA-N
MW384.96 g/mol
LogP4.38
Rot. Bonds4

About bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride

bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride (PubChem CID 169440945) has the molecular formula C22H29ClN4 and a molecular weight of 384.96 g/mol. Its IUPAC name is bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride.

Molecular Properties

Compound Namebis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
PubChem CID169440945
Molecular FormulaC22H29ClN4
Molecular Weight384.96 g/mol
Exact Mass384.21
IUPAC Namebis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
SMILESCc1[nH]c2ccccc2c1CCN.Cc1[nH]c2ccccc2c1CCN.Cl
InChIInChI=1S/2C11H14N2.ClH/c2*1-8-9(6-7-12)10-4-2-3-5-11(10)13-8;/h2*2-5,13H,6-7,12H2,1H3;1H
InChIKeyOPCJPHLQPOCVCX-UHFFFAOYSA-N
XLogP4.38
TPSA83.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.96
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
3-(2-aminoethyl)-1H-indole-2-thiol
CID 71397889
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
2-[5-(benzenesulfonyl)-2-methyl-1H-indol-3-yl]ethanamine;hydrochloride
CID 18522758
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951
[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
CID 116928972
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 84670916

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride?
The IUPAC name of bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride (CID 169440945) is bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride.
What is the SMILES notation for bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride?
The canonical SMILES for bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride is Cc1[nH]c2ccccc2c1CCN.Cc1[nH]c2ccccc2c1CCN.Cl.
What is the InChIKey of bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride?
The InChIKey is OPCJPHLQPOCVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2.ClH/c2*1-8-9(6-7-12)10-4-2-3-5-11(10)13-8;/h2*2-5,13H,6-7,12H2,1H3;1H.
What are the key properties of bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride?
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride has a molecular weight of 384.96 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride is sourced from PubChem (CID 169440945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).