2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine

C19H21ClN2O — CID 23373044

IUPAC2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(OCc3ccccc3)c(Cl)c12
InChIInChI=1S/C19H21ClN2O/c1-22(2)11-10-15-12-21-16-8-9-17(19(20)18(15)16)23-13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3
InChIKeyBYLLPUQUCMJMGG-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.50
Rot. Bonds6

About 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine

2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 23373044) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID23373044
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(OCc3ccccc3)c(Cl)c12
InChIInChI=1S/C19H21ClN2O/c1-22(2)11-10-15-12-21-16-8-9-17(19(20)18(15)16)23-13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3
InChIKeyBYLLPUQUCMJMGG-UHFFFAOYSA-N
XLogP4.50
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine (CID 23373044) is 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(OCc3ccccc3)c(Cl)c12.
What is the InChIKey of 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is BYLLPUQUCMJMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-22(2)11-10-15-12-21-16-8-9-17(19(20)18(15)16)23-13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3.
What are the key properties of 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 328.84 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 23373044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).