2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine

C15H24ClNO3 — CID 103180434

IUPAC2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
SMILESCNCC(OCCOCCCOC)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO3/c1-17-12-15(13-6-3-4-7-14(13)16)20-11-10-19-9-5-8-18-2/h3-4,6-7,15,17H,5,8-12H2,1-2H3
InChIKeySWHUWUGVRMGRGA-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.67
Rot. Bonds11

About 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine

2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine (PubChem CID 103180434) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
PubChem CID103180434
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
SMILESCNCC(OCCOCCCOC)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO3/c1-17-12-15(13-6-3-4-7-14(13)16)20-11-10-19-9-5-8-18-2/h3-4,6-7,15,17H,5,8-12H2,1-2H3
InChIKeySWHUWUGVRMGRGA-UHFFFAOYSA-N
XLogP2.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.67
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-[2-bromo-1-[2-(3-methoxypropoxy)ethoxy]ethyl]-2-chlorobenzene
CID 103180209
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
1-chloro-2-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]benzene
CID 103405085
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
N-[2-(2-butoxyethoxy)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 62110711
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
N-methyl-2-(2-methylphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63684704
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489
2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405191

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine (CID 103180434) is 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine is CNCC(OCCOCCCOC)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine?
The InChIKey is SWHUWUGVRMGRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-17-12-15(13-6-3-4-7-14(13)16)20-11-10-19-9-5-8-18-2/h3-4,6-7,15,17H,5,8-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine?
2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine has a molecular weight of 301.81 g/mol, XLogP of 2.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine is sourced from PubChem (CID 103180434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).