1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine

C16H23ClN2O2 — CID 103411335

IUPAC1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(CCCOCCOC)c2cc(Cl)ccc12
InChIInChI=1S/C16H23ClN2O2/c1-18-11-13-12-19(6-3-7-21-9-8-20-2)16-10-14(17)4-5-15(13)16/h4-5,10,12,18H,3,6-9,11H2,1-2H3
InChIKeyUAJCDCKMYVZBEC-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.07
Rot. Bonds9

About 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine

1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine (PubChem CID 103411335) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine
PubChem CID103411335
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(CCCOCCOC)c2cc(Cl)ccc12
InChIInChI=1S/C16H23ClN2O2/c1-18-11-13-12-19(6-3-7-21-9-8-20-2)16-10-14(17)4-5-15(13)16/h4-5,10,12,18H,3,6-9,11H2,1-2H3
InChIKeyUAJCDCKMYVZBEC-UHFFFAOYSA-N
XLogP3.07
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine (CID 103411335) is 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine is CNCc1cn(CCCOCCOC)c2cc(Cl)ccc12.
What is the InChIKey of 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine?
The InChIKey is UAJCDCKMYVZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-18-11-13-12-19(6-3-7-21-9-8-20-2)16-10-14(17)4-5-15(13)16/h4-5,10,12,18H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine?
1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine has a molecular weight of 310.83 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103411335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).