2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine

C16H23ClN2O — CID 23373046

IUPAC2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine
SMILESCCCOc1ccc2[nH]cc(CCN(C)CC)c2c1Cl
InChIInChI=1S/C16H23ClN2O/c1-4-10-20-14-7-6-13-15(16(14)17)12(11-18-13)8-9-19(3)5-2/h6-7,11,18H,4-5,8-10H2,1-3H3
InChIKeyDTLUIMDTHARMRB-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.10
Rot. Bonds7

About 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine

2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine (PubChem CID 23373046) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine
PubChem CID23373046
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine
SMILESCCCOc1ccc2[nH]cc(CCN(C)CC)c2c1Cl
InChIInChI=1S/C16H23ClN2O/c1-4-10-20-14-7-6-13-15(16(14)17)12(11-18-13)8-9-19(3)5-2/h6-7,11,18H,4-5,8-10H2,1-3H3
InChIKeyDTLUIMDTHARMRB-UHFFFAOYSA-N
XLogP4.10
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.10
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-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine (CID 23373046) is 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine is CCCOc1ccc2[nH]cc(CCN(C)CC)c2c1Cl.
What is the InChIKey of 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine?
The InChIKey is DTLUIMDTHARMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-4-10-20-14-7-6-13-15(16(14)17)12(11-18-13)8-9-19(3)5-2/h6-7,11,18H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine?
2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine has a molecular weight of 294.83 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-propoxy-1H-indol-3-yl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 23373046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).