2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine

C17H28ClNO4 — CID 176854960

IUPAC2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine
SMILESNCOCCOc1ccccc1OCCOCCCCCCCl
InChIInChI=1S/C17H28ClNO4/c18-9-5-1-2-6-10-20-11-13-22-16-7-3-4-8-17(16)23-14-12-21-15-19/h3-4,7-8H,1-2,5-6,9-15,19H2
InChIKeyPMQYAQOMMJHROR-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.19
Rot. Bonds15

About 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine

2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine (PubChem CID 176854960) has the molecular formula C17H28ClNO4 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine.

Molecular Properties

Compound Name2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine
PubChem CID176854960
Molecular FormulaC17H28ClNO4
Molecular Weight345.87 g/mol
Exact Mass345.17
IUPAC Name2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine
SMILESNCOCCOc1ccccc1OCCOCCCCCCCl
InChIInChI=1S/C17H28ClNO4/c18-9-5-1-2-6-10-20-11-13-22-16-7-3-4-8-17(16)23-14-12-21-15-19/h3-4,7-8H,1-2,5-6,9-15,19H2
InChIKeyPMQYAQOMMJHROR-UHFFFAOYSA-N
XLogP3.19
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloropentoxy)ethoxybenzene
CID 43348433
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene
CID 63663798
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
CID 170630324

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine?
The IUPAC name of 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine (CID 176854960) is 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine.
What is the SMILES notation for 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine?
The canonical SMILES for 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine is NCOCCOc1ccccc1OCCOCCCCCCCl.
What is the InChIKey of 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine?
The InChIKey is PMQYAQOMMJHROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO4/c18-9-5-1-2-6-10-20-11-13-22-16-7-3-4-8-17(16)23-14-12-21-15-19/h3-4,7-8H,1-2,5-6,9-15,19H2.
What are the key properties of 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine?
2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine has a molecular weight of 345.87 g/mol, XLogP of 3.19, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine is sourced from PubChem (CID 176854960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).