2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine

C20H22Cl2N2O — CID 11740300

IUPAC2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine
SMILESCc1c(OCCN(C)C)c2cc(Cl)cc(Cl)c2n1Cc1ccccc1
InChIInChI=1S/C20H22Cl2N2O/c1-14-20(25-10-9-23(2)3)17-11-16(21)12-18(22)19(17)24(14)13-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyOLMBJUCMVUKOBF-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.25
Rot. Bonds6

About 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine

2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine (PubChem CID 11740300) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine
PubChem CID11740300
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine
SMILESCc1c(OCCN(C)C)c2cc(Cl)cc(Cl)c2n1Cc1ccccc1
InChIInChI=1S/C20H22Cl2N2O/c1-14-20(25-10-9-23(2)3)17-11-16(21)12-18(22)19(17)24(14)13-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyOLMBJUCMVUKOBF-UHFFFAOYSA-N
XLogP5.25
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine (CID 11740300) is 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine is Cc1c(OCCN(C)C)c2cc(Cl)cc(Cl)c2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine?
The InChIKey is OLMBJUCMVUKOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-14-20(25-10-9-23(2)3)17-11-16(21)12-18(22)19(17)24(14)13-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine?
2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine has a molecular weight of 377.32 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 11740300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).