1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine

C15H24ClNO3 — CID 103177693

IUPAC1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCCOCCCOC
InChIInChI=1S/C15H24ClNO3/c1-12(17-2)14-11-13(16)5-6-15(14)20-10-9-19-8-4-7-18-3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyBFNXCURFWBVNRP-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.05
Rot. Bonds10

About 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine

1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine (PubChem CID 103177693) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
PubChem CID103177693
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCCOCCCOC
InChIInChI=1S/C15H24ClNO3/c1-12(17-2)14-11-13(16)5-6-15(14)20-10-9-19-8-4-7-18-3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyBFNXCURFWBVNRP-UHFFFAOYSA-N
XLogP3.05
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.05
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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Related Compounds

1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103403029
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]-N-methylethanamine
CID 114471551
(1S)-1-[5-chloro-2-(4-methoxybutoxy)phenyl]ethanol
CID 104648019
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103177883
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177687

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine (CID 103177693) is 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCCOCCCOC.
What is the InChIKey of 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine?
The InChIKey is BFNXCURFWBVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-12(17-2)14-11-13(16)5-6-15(14)20-10-9-19-8-4-7-18-3/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine?
1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine has a molecular weight of 301.81 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 103177693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).