N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine

C14H19ClN2O2 — CID 78974959

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H19ClN2O2/c1-18-6-7-19-5-4-16-9-11-10-17-14-8-12(15)2-3-13(11)14/h2-3,8,10,16-17H,4-7,9H2,1H3
InChIKeyPMGWKMIRHAGMEY-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.57
Rot. Bonds8

About N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine

N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine (PubChem CID 78974959) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
PubChem CID78974959
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C14H19ClN2O2/c1-18-6-7-19-5-4-16-9-11-10-17-14-8-12(15)2-3-13(11)14/h2-3,8,10,16-17H,4-7,9H2,1H3
InChIKeyPMGWKMIRHAGMEY-UHFFFAOYSA-N
XLogP2.57
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115590337
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 113487350
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
N-[(6-chloro-1H-indol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106425605
2-[(6-chloro-1H-indol-3-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335391
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine
CID 78968564
N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 78968570

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine (CID 78974959) is N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine is COCCOCCNCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
The InChIKey is PMGWKMIRHAGMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-18-6-7-19-5-4-16-9-11-10-17-14-8-12(15)2-3-13(11)14/h2-3,8,10,16-17H,4-7,9H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine?
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine has a molecular weight of 282.77 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 78974959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).